2-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid

C12H11NO4 — CID 115083847

IUPAC2-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid
SMILESCOc1cccc(Cc2nc(C(=O)O)co2)c1
InChIInChI=1S/C12H11NO4/c1-16-9-4-2-3-8(5-9)6-11-13-10(7-17-11)12(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyKYQGDXQKJUOUFZ-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.97
Rot. Bonds4

About 2-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid

2-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 115083847) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID115083847
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name2-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid
SMILESCOc1cccc(Cc2nc(C(=O)O)co2)c1
InChIInChI=1S/C12H11NO4/c1-16-9-4-2-3-8(5-9)6-11-13-10(7-17-11)12(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyKYQGDXQKJUOUFZ-UHFFFAOYSA-N
XLogP1.97
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanol
CID 115083702
5-[(3-methoxyphenyl)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride
CID 70512473
1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylethanamine
CID 115083796
ethane;methyl 2-benzyl-1,3-oxazole-4-carboxylate
CID 91273560
3-[(3-methoxyphenyl)methyl]benzoic acid
CID 86242874
1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylpropan-2-amine
CID 115083827
[2-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
CID 42834872
2-[(3-acetylphenyl)methyl]-1,3-oxazole-4-carbonyl chloride
CID 86664917
2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 176989464
2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 61272827
4-[(3-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82485941
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid (CID 115083847) is 2-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid is COc1cccc(Cc2nc(C(=O)O)co2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is KYQGDXQKJUOUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-16-9-4-2-3-8(5-9)6-11-13-10(7-17-11)12(14)15/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of 2-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid?
2-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 233.22 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 115083847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).