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

C12H10ClNO3 — CID 20848771

IUPAC5-(3-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxylic acid
SMILESCCc1noc(-c2cccc(Cl)c2)c1C(=O)O
InChIInChI=1S/C12H10ClNO3/c1-2-9-10(12(15)16)11(17-14-9)7-4-3-5-8(13)6-7/h3-6H,2H2,1H3,(H,15,16)
InChIKeyAUBPVMOUAIDQMO-UHFFFAOYSA-N
MW251.67 g/mol
LogP3.26
Rot. Bonds3

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

5-(3-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxylic acid (PubChem CID 20848771) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxylic acid
PubChem CID20848771
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name5-(3-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxylic acid
SMILESCCc1noc(-c2cccc(Cl)c2)c1C(=O)O
InChIInChI=1S/C12H10ClNO3/c1-2-9-10(12(15)16)11(17-14-9)7-4-3-5-8(13)6-7/h3-6H,2H2,1H3,(H,15,16)
InChIKeyAUBPVMOUAIDQMO-UHFFFAOYSA-N
XLogP3.26
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine
CID 66199430
3-chloro-5-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 82387243
5-(3-chlorophenyl)-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid
CID 58374126
3,6-bis(3-chlorophenyl)benzene-1,2,4,5-tetracarboxylic acid
CID 139733778
5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid
CID 71255665
[4-(3-chlorophenyl)piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 17191313
5-(3-chlorophenyl)-3-oxo-1,2-oxazole-4-carboxylic acid
CID 82388212
(3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid
CID 68885744
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
5-(3-chlorophenyl)-3-ethyl-1,2-oxazole
CID 143435495
3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 22554992
5-(3-chlorophenyl)-1,2-oxazol-4-amine
CID 82400734

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(3-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxylic acid (CID 20848771) is 5-(3-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(3-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxylic acid is CCc1noc(-c2cccc(Cl)c2)c1C(=O)O.
What is the InChIKey of 5-(3-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is AUBPVMOUAIDQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-2-9-10(12(15)16)11(17-14-9)7-4-3-5-8(13)6-7/h3-6H,2H2,1H3,(H,15,16).
What are the key properties of 5-(3-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxylic acid?
5-(3-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 251.67 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 20848771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).