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

C11H8ClNO3 — CID 84700371

IUPAC4-chloro-3-(2-methylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCc1ccccc1-c1noc(C(=O)O)c1Cl
InChIInChI=1S/C11H8ClNO3/c1-6-4-2-3-5-7(6)9-8(12)10(11(14)15)16-13-9/h2-5H,1H3,(H,14,15)
InChIKeyHILYPVUDIGKNFG-UHFFFAOYSA-N
MW237.64 g/mol
LogP3.00
Rot. Bonds2

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

4-chloro-3-(2-methylphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 84700371) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 4-chloro-3-(2-methylphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-3-(2-methylphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID84700371
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name4-chloro-3-(2-methylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCc1ccccc1-c1noc(C(=O)O)c1Cl
InChIInChI=1S/C11H8ClNO3/c1-6-4-2-3-5-7(6)9-8(12)10(11(14)15)16-13-9/h2-5H,1H3,(H,14,15)
InChIKeyHILYPVUDIGKNFG-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

4-methyl-5-(2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 105470722
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 2480918
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
3-(2,4-dichlorophenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82362315
5-methyl-3-(2-phenylphenyl)-1,2-oxazole-4-carboxylic acid
CID 86037624
4-chloro-1-(2-methylphenyl)isoquinoline-7-carboxylic acid
CID 67961359
3,4-diphenyl-1,2-oxazole-5-carboxylic acid
CID 129078640
6-chloro-2-(2-methylphenyl)pyrimidine-4-carboxylic acid
CID 82168765
4-(2-methylphenyl)thiadiazole-5-carboxylic acid
CID 65207542
(4-chlorophenyl)-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanone
CID 154721987
2-[3-(2-methylphenyl)-1,2-oxazol-5-yl]benzoic acid
CID 13125665
4-methyl-3-naphthalen-2-yl-1,2-oxazole-5-carboxylic acid
CID 82362316

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 4-chloro-3-(2-methylphenyl)-1,2-oxazole-5-carboxylic acid (CID 84700371) is 4-chloro-3-(2-methylphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-3-(2-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 4-chloro-3-(2-methylphenyl)-1,2-oxazole-5-carboxylic acid is Cc1ccccc1-c1noc(C(=O)O)c1Cl.
What is the InChIKey of 4-chloro-3-(2-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is HILYPVUDIGKNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c1-6-4-2-3-5-7(6)9-8(12)10(11(14)15)16-13-9/h2-5H,1H3,(H,14,15).
What are the key properties of 4-chloro-3-(2-methylphenyl)-1,2-oxazole-5-carboxylic acid?
4-chloro-3-(2-methylphenyl)-1,2-oxazole-5-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 4-chloro-3-(2-methylphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 84700371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).