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

C12H11NO4 — CID 105423505

IUPAC2-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetic acid
SMILESCOc1ccc(-c2conc2CC(=O)O)cc1
InChIInChI=1S/C12H11NO4/c1-16-9-4-2-8(3-5-9)10-7-17-13-11(10)6-12(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyBFFKTTMQKBCPGX-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.98
Rot. Bonds4

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

2-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetic acid (PubChem CID 105423505) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetic acid
PubChem CID105423505
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name2-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetic acid
SMILESCOc1ccc(-c2conc2CC(=O)O)cc1
InChIInChI=1S/C12H11NO4/c1-16-9-4-2-8(3-5-9)10-7-17-13-11(10)6-12(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyBFFKTTMQKBCPGX-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetic 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

3-[(4-methoxyphenyl)methyl]-1,2-oxazole-4-carboxylic acid
CID 91211734
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640
2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid
CID 134631328
2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid
CID 11528862
3-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanoic acid
CID 105423672
4-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58178281
2-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid
CID 82289482
5-ethyl-4-hydroxy-2-(4-methoxyphenyl)benzoic acid
CID 57314775
2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid
CID 54758883
2-[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 28806166
2-[1-(4-methoxyphenyl)-3-oxoinden-2-yl]acetic acid
CID 54555837
2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]acetic acid
CID 82479288

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetic acid?
The IUPAC name of 2-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetic acid (CID 105423505) is 2-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetic acid?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetic acid is COc1ccc(-c2conc2CC(=O)O)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetic acid?
The InChIKey is BFFKTTMQKBCPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-16-9-4-2-8(3-5-9)10-7-17-13-11(10)6-12(14)15/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of 2-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetic acid?
2-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetic acid has a molecular weight of 233.22 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetic acid is sourced from PubChem (CID 105423505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).