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

C11H8ClNO3 — CID 4961939

IUPAC2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(-c2ccc(Cl)cc2)nc1C(=O)O
InChIInChI=1S/C11H8ClNO3/c1-6-9(11(14)15)13-10(16-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15)
InChIKeyVKGNZWBREYZBKG-UHFFFAOYSA-N
MW237.64 g/mol
LogP3.00
Rot. Bonds2

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

2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 4961939) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID4961939
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(-c2ccc(Cl)cc2)nc1C(=O)O
InChIInChI=1S/C11H8ClNO3/c1-6-9(11(14)15)13-10(16-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15)
InChIKeyVKGNZWBREYZBKG-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

2-bromo-1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 86674821
5-methyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-oxazole-4-carboxylic acid
CID 98018990
2-(4-chlorophenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid
CID 174624986
2-(4-chlorophenyl)-4-methyl-1,3-benzoxazole-6-carboxylic acid
CID 172815570
2-(4-butoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 62233003
2-(6-bromonaphthalen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 115354447
2-(3,5-dibromophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 107974660
[(2S)-1-(methylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylate
CID 33135973
[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanone
CID 95581186
2-(4-chlorophenoxy)ethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726389
5-methyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 98019003
5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid
CID 69141126

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid (CID 4961939) is 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid is Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)O.
What is the InChIKey of 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is VKGNZWBREYZBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c1-6-9(11(14)15)13-10(16-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15).
What are the key properties of 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-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 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 4961939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).