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

C11H8ClNO3 — CID 117347933

IUPAC5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)no2)c(Cl)c1
InChIInChI=1S/C11H8ClNO3/c1-6-2-3-7(8(12)4-6)10-5-9(11(14)15)13-16-10/h2-5H,1H3,(H,14,15)
InChIKeyVCDFCOIEOLJDBV-UHFFFAOYSA-N
MW237.64 g/mol
LogP3.00
Rot. Bonds2

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

5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117347933) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117347933
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)no2)c(Cl)c1
InChIInChI=1S/C11H8ClNO3/c1-6-2-3-7(8(12)4-6)10-5-9(11(14)15)13-16-10/h2-5H,1H3,(H,14,15)
InChIKeyVCDFCOIEOLJDBV-UHFFFAOYSA-N
XLogP3.00
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methyl-2-methylsulfanylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117375884
5-[2-chloro-4-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117427117
5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117391990
5-(5-bromo-2-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117487455
5-(2-chloro-3-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422565
5-(2,3-dihydroxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 137017056
5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117487454
5-(3-hydroxy-2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117337523
5-(2-hydroxy-3,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 137007313
5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386909
5-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117443278
5-[3-chloro-2-(1,1-difluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117464297

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid (CID 117347933) is 5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)no2)c(Cl)c1.
What is the InChIKey of 5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is VCDFCOIEOLJDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c1-6-2-3-7(8(12)4-6)10-5-9(11(14)15)13-16-10/h2-5H,1H3,(H,14,15).
What are the key properties of 5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid?
5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 237.64 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117347933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).