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Mofezolac

C19H17NO5 — CID 4237

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid
SMILESCOc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OC)cc2)cc1
InChIInChI=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)
InChIKeyDJEIHHYCDCTAAH-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.65
Rot. Bonds6

About Mofezolac

Mofezolac (PubChem CID 4237) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid.

Molecular Properties

Compound NameMofezolac
PubChem CID4237
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid
SMILESCOc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OC)cc2)cc1
InChIInChI=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)
InChIKeyDJEIHHYCDCTAAH-UHFFFAOYSA-N
XLogP3.65
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Oxo-2-phenylethyl 5-methyl-3-phenylisoxazole-4-carboxylate
CID 569192
Methyl 3,5-diphenyl-1,2-oxazole-4-carboxylate
CID 827480
3,4-Bis(4-methoxyphenyl)-5-methylisoxazole
CID 3954928
5-(2-Hydroxyethyl)-3,4-bis(4-methoxyphenyl)isoxazole
CID 18998922
4-(3-Methoxyphenyl)-3-(4-methoxyphenyl)-1,2-oxazole
CID 91048889
3-[4-[[3-(3,5-Dimethyl-1,2-oxazol-4-yl)-5-methoxyphenyl]methoxy]-2-fluorophenyl]propanoic acid
CID 127047529
5-(Bromomethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole
CID 144673436

Frequently Asked Questions

What is the IUPAC name of Mofezolac?
The IUPAC name of Mofezolac (CID 4237) is 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid.
What is the SMILES notation for Mofezolac?
The canonical SMILES for Mofezolac is COc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of Mofezolac?
The InChIKey is DJEIHHYCDCTAAH-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of Mofezolac?
Mofezolac has a molecular weight of 339.35 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Mofezolac is sourced from PubChem (CID 4237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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