4-(3-chlorophenyl)-5-methyl-1,3-oxazole-2-carboxylic acid

C11H8ClNO3 — CID 105499670

IUPAC4-(3-chlorophenyl)-5-methyl-1,3-oxazole-2-carboxylic acid
SMILESCc1oc(C(=O)O)nc1-c1cccc(Cl)c1
InChIInChI=1S/C11H8ClNO3/c1-6-9(13-10(16-6)11(14)15)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,14,15)
InChIKeyKXDNRCYQOLSJFP-UHFFFAOYSA-N
MW237.64 g/mol
LogP3.00
Rot. Bonds2

About 4-(3-chlorophenyl)-5-methyl-1,3-oxazole-2-carboxylic acid

4-(3-chlorophenyl)-5-methyl-1,3-oxazole-2-carboxylic acid (PubChem CID 105499670) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-methyl-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-methyl-1,3-oxazole-2-carboxylic acid
PubChem CID105499670
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name4-(3-chlorophenyl)-5-methyl-1,3-oxazole-2-carboxylic acid
SMILESCc1oc(C(=O)O)nc1-c1cccc(Cl)c1
InChIInChI=1S/C11H8ClNO3/c1-6-9(13-10(16-6)11(14)15)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,14,15)
InChIKeyKXDNRCYQOLSJFP-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

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3,6-bis(3-chlorophenyl)benzene-1,2,4,5-tetracarboxylic acid
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3-(3-chlorophenyl)-1,5-dimethylpyrazole-4-carboxylic acid
CID 122619967
2-chloro-5-methyl-4-(3-methylphenyl)-1,3-oxazole
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CID 71087250
6-(3-chlorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
CID 116533201
2-[4-(3-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 82092406
5-(3-chlorophenyl)-3-hydroxy-4-methylpyridine-2-carboxylic acid
CID 170210771
2-amino-4-(3-chlorophenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
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2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole
CID 21408778
[3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82127944

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-methyl-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 4-(3-chlorophenyl)-5-methyl-1,3-oxazole-2-carboxylic acid (CID 105499670) is 4-(3-chlorophenyl)-5-methyl-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 4-(3-chlorophenyl)-5-methyl-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 4-(3-chlorophenyl)-5-methyl-1,3-oxazole-2-carboxylic acid is Cc1oc(C(=O)O)nc1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-5-methyl-1,3-oxazole-2-carboxylic acid?
The InChIKey is KXDNRCYQOLSJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c1-6-9(13-10(16-6)11(14)15)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,14,15).
What are the key properties of 4-(3-chlorophenyl)-5-methyl-1,3-oxazole-2-carboxylic acid?
4-(3-chlorophenyl)-5-methyl-1,3-oxazole-2-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-(3-chlorophenyl)-5-methyl-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 105499670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).