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

C11H8ClNO5 — CID 117427083

IUPAC5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1cc(Cl)c(-c2cc(C(=O)O)no2)cc1O
InChIInChI=1S/C11H8ClNO5/c1-17-10-3-6(12)5(2-8(10)14)9-4-7(11(15)16)13-18-9/h2-4,14H,1H3,(H,15,16)
InChIKeyMGJMCQBGBZDGEV-UHFFFAOYSA-N
MW269.64 g/mol
LogP2.41
Rot. Bonds3

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

5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117427083) has the molecular formula C11H8ClNO5 and a molecular weight of 269.64 g/mol. Its IUPAC name is 5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117427083
Molecular FormulaC11H8ClNO5
Molecular Weight269.64 g/mol
Exact Mass269.01
IUPAC Name5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1cc(Cl)c(-c2cc(C(=O)O)no2)cc1O
InChIInChI=1S/C11H8ClNO5/c1-17-10-3-6(12)5(2-8(10)14)9-4-7(11(15)16)13-18-9/h2-4,14H,1H3,(H,15,16)
InChIKeyMGJMCQBGBZDGEV-UHFFFAOYSA-N
XLogP2.41
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.64
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2-chloro-5-hydroxy-4-methoxyphenyl)-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

5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386909
5-(4-bromo-2-hydroxy-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136928752
5-(2-chloro-3-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422559
5-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117470400
5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117467926
5-(3-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386910
5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916
5-(3-chloro-5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117431806
5-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117485824
5-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazole-3-carboxylic acid
CID 117475829
5-(6-chloro-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117455882
5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117347933

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (CID 117427083) is 5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is COc1cc(Cl)c(-c2cc(C(=O)O)no2)cc1O.
What is the InChIKey of 5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is MGJMCQBGBZDGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO5/c1-17-10-3-6(12)5(2-8(10)14)9-4-7(11(15)16)13-18-9/h2-4,14H,1H3,(H,15,16).
What are the key properties of 5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 269.64 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117427083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).