5-(2-chloro-4-methoxyphenyl)-4-ethyl-1,2-oxazole-3-carboxylic acid

C13H12ClNO4 — CID 118514715

IUPAC5-(2-chloro-4-methoxyphenyl)-4-ethyl-1,2-oxazole-3-carboxylic acid
SMILESCCc1c(C(=O)O)noc1-c1ccc(OC)cc1Cl
InChIInChI=1S/C13H12ClNO4/c1-3-8-11(13(16)17)15-19-12(8)9-5-4-7(18-2)6-10(9)14/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyFIUPYTPOUGWBAY-UHFFFAOYSA-N
MW281.69 g/mol
LogP3.26
Rot. Bonds4

About 5-(2-chloro-4-methoxyphenyl)-4-ethyl-1,2-oxazole-3-carboxylic acid

5-(2-chloro-4-methoxyphenyl)-4-ethyl-1,2-oxazole-3-carboxylic acid (PubChem CID 118514715) has the molecular formula C13H12ClNO4 and a molecular weight of 281.69 g/mol. Its IUPAC name is 5-(2-chloro-4-methoxyphenyl)-4-ethyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloro-4-methoxyphenyl)-4-ethyl-1,2-oxazole-3-carboxylic acid
PubChem CID118514715
Molecular FormulaC13H12ClNO4
Molecular Weight281.69 g/mol
Exact Mass281.05
IUPAC Name5-(2-chloro-4-methoxyphenyl)-4-ethyl-1,2-oxazole-3-carboxylic acid
SMILESCCc1c(C(=O)O)noc1-c1ccc(OC)cc1Cl
InChIInChI=1S/C13H12ClNO4/c1-3-8-11(13(16)17)15-19-12(8)9-5-4-7(18-2)6-10(9)14/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyFIUPYTPOUGWBAY-UHFFFAOYSA-N
XLogP3.26
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-chloro-4-methoxyphenyl)-4-ethyl-1,2-oxazole-3-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

3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117386929
4-chloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 125490699
2-[5-(2-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
CID 82487138
[5-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868254
13-methoxy-3-oxa-4-azatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),4,12,14-pentaene-5-carboxylic acid
CID 118514645
4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 102158832
2-[4-ethyl-3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-5-hydroxybenzamide
CID 135855896
3-(2-chloro-4-methoxyphenyl)-5-(2,6-dimethoxyphenyl)-4-ethyl-1H-pyrrole-2-carboxylic acid
CID 146350288
ethyl 5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,2-oxazole-3-carboxylate
CID 123400941
4-amino-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82389839
2-[4-(2-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]acetic acid
CID 82304592
2-[4-(2-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 95482947

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methoxyphenyl)-4-ethyl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-chloro-4-methoxyphenyl)-4-ethyl-1,2-oxazole-3-carboxylic acid (CID 118514715) is 5-(2-chloro-4-methoxyphenyl)-4-ethyl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-chloro-4-methoxyphenyl)-4-ethyl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-chloro-4-methoxyphenyl)-4-ethyl-1,2-oxazole-3-carboxylic acid is CCc1c(C(=O)O)noc1-c1ccc(OC)cc1Cl.
What is the InChIKey of 5-(2-chloro-4-methoxyphenyl)-4-ethyl-1,2-oxazole-3-carboxylic acid?
The InChIKey is FIUPYTPOUGWBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4/c1-3-8-11(13(16)17)15-19-12(8)9-5-4-7(18-2)6-10(9)14/h4-6H,3H2,1-2H3,(H,16,17).
What are the key properties of 5-(2-chloro-4-methoxyphenyl)-4-ethyl-1,2-oxazole-3-carboxylic acid?
5-(2-chloro-4-methoxyphenyl)-4-ethyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 281.69 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-methoxyphenyl)-4-ethyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 118514715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).