5-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid

C14H14ClNO5 — CID 117496420

IUPAC5-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCCc1cc(OC)c(OC)c(-c2cc(C(=O)O)no2)c1Cl
InChIInChI=1S/C14H14ClNO5/c1-4-7-5-10(19-2)13(20-3)11(12(7)15)9-6-8(14(17)18)16-21-9/h5-6H,4H2,1-3H3,(H,17,18)
InChIKeyDWMJMFUJDXCBGA-UHFFFAOYSA-N
MW311.72 g/mol
LogP3.27
Rot. Bonds5

About 5-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid

5-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117496420) has the molecular formula C14H14ClNO5 and a molecular weight of 311.72 g/mol. Its IUPAC name is 5-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117496420
Molecular FormulaC14H14ClNO5
Molecular Weight311.72 g/mol
Exact Mass311.06
IUPAC Name5-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCCc1cc(OC)c(OC)c(-c2cc(C(=O)O)no2)c1Cl
InChIInChI=1S/C14H14ClNO5/c1-4-7-5-10(19-2)13(20-3)11(12(7)15)9-6-8(14(17)18)16-21-9/h5-6H,4H2,1-3H3,(H,17,18)
InChIKeyDWMJMFUJDXCBGA-UHFFFAOYSA-N
XLogP3.27
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-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-(6-chloro-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117455882
5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117411985
5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117411996
5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386909
5-(2-chloro-3-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422559
5-(2-chloro-3-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422565
5-(5-ethoxy-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117473181
5-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117451194
5-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 115111205
5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117427083
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

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid (CID 117496420) is 5-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid is CCc1cc(OC)c(OC)c(-c2cc(C(=O)O)no2)c1Cl.
What is the InChIKey of 5-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is DWMJMFUJDXCBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO5/c1-4-7-5-10(19-2)13(20-3)11(12(7)15)9-6-8(14(17)18)16-21-9/h5-6H,4H2,1-3H3,(H,17,18).
What are the key properties of 5-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
5-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 311.72 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117496420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).