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5C1 : Summary
Code
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5C1
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One-letter code
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X
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Molecule name
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5-(2-chlorophenyl)-N-hydroxy-1,3-oxazole-2-carboxamide
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Systematic names
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Formula
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C10 H7 Cl N2 O3
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Formal charge
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0
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Molecular weight
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238.627 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(c1ncc(o1)c2c(Cl)cccc2)NO |
SMILES
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CACTVS |
3.370 |
ONC(=O)c1oc(cn1)c2ccccc2Cl |
SMILES
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OpenEye OEToolkits |
1.7.2 |
c1ccc(c(c1)c2cnc(o2)C(=O)NO)Cl |
Canonical SMILES
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CACTVS |
3.370 |
ONC(=O)c1oc(cn1)c2ccccc2Cl |
Canonical SMILES
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OpenEye OEToolkits |
1.7.2 |
c1ccc(c(c1)c2cnc(o2)C(=O)NO)Cl |
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IUPAC InChI | InChI=1S/C10H7ClN2O3/c11-7-4-2-1-3-6(7)8-5-12-10(16-8)9(14)13-15/h1-5,15H,(H,13,14) |
IUPAC InChI key | OZEMICSCADZYKS-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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23 (16 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2011-11-10
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Last modified at
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2012-06-08
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Status
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Released
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Obsoleted
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Not Assigned
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