Chemical Components in the PDB

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63X : Summary

Code

63X

One-letter code

X

Molecule name

Mofezolac

Synonyms

[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 [3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid
OpenEye OEToolkits 2.0.6 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanoic acid

Formula

C19 H17 N O5

Formal charge

0

Molecular weight

339.342 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c3(OC)ccc(c2c(CC(O)=O)onc2c1ccc(OC)cc1)cc3
SMILES CACTVS 3.385 COc1ccc(cc1)c2noc(CC(O)=O)c2c3ccc(OC)cc3
SMILES OpenEye OEToolkits 2.0.6 COc1ccc(cc1)c2c(onc2c3ccc(cc3)OC)CC(=O)O
Canonical SMILES CACTVS 3.385 COc1ccc(cc1)c2noc(CC(O)=O)c2c3ccc(OC)cc3
Canonical SMILES OpenEye OEToolkits 2.0.6 COc1ccc(cc1)c2c(onc2c3ccc(cc3)OC)CC(=O)O

IUPAC InChI

InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)

IUPAC InChI key

DJEIHHYCDCTAAH-UHFFFAOYSA-N
63X

wwPDB Information

Atom count

42 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-01-22

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned