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

C13H12ClNO3 — CID 114373683

IUPAC2-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
SMILESCC(C)c1nc(-c2ccccc2Cl)oc1C(=O)O
InChIInChI=1S/C13H12ClNO3/c1-7(2)10-11(13(16)17)18-12(15-10)8-5-3-4-6-9(8)14/h3-7H,1-2H3,(H,16,17)
InChIKeySJUYHRREPQPAMX-UHFFFAOYSA-N
MW265.70 g/mol
LogP3.82
Rot. Bonds3

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

2-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid (PubChem CID 114373683) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
PubChem CID114373683
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name2-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
SMILESCC(C)c1nc(-c2ccccc2Cl)oc1C(=O)O
InChIInChI=1S/C13H12ClNO3/c1-7(2)10-11(13(16)17)18-12(15-10)8-5-3-4-6-9(8)14/h3-7H,1-2H3,(H,16,17)
InChIKeySJUYHRREPQPAMX-UHFFFAOYSA-N
XLogP3.82
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-3-methylphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373711
2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373445
2-(5-bromofuran-2-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373776
2-(4-bromo-2-methylphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373702
2-(2,6-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103198901
2-(2-methylpyrazol-3-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373627
2-(3-bromo-5-chlorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 107942088
2-(2,3-dichlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842536
5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 23358700
ethyl 2-(2-chloro-4-fluorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate
CID 114371412
ethyl 2-(2-methylsulfanylphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate
CID 114371522
2-(3-bromo-2-fluorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 107953427

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid (CID 114373683) is 2-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid is CC(C)c1nc(-c2ccccc2Cl)oc1C(=O)O.
What is the InChIKey of 2-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid?
The InChIKey is SJUYHRREPQPAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c1-7(2)10-11(13(16)17)18-12(15-10)8-5-3-4-6-9(8)14/h3-7H,1-2H3,(H,16,17).
What are the key properties of 2-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid?
2-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid has a molecular weight of 265.70 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114373683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).