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

C13H9ClFNO3 — CID 114374257

IUPAC2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(-c2ccc(F)c(Cl)c2)nc1C1CC1
InChIInChI=1S/C13H9ClFNO3/c14-8-5-7(3-4-9(8)15)12-16-10(6-1-2-6)11(19-12)13(17)18/h3-6H,1-2H2,(H,17,18)
InChIKeyRJKRWNBTNPAQGZ-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.71
Rot. Bonds3

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

2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid (PubChem CID 114374257) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
PubChem CID114374257
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Name2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(-c2ccc(F)c(Cl)c2)nc1C1CC1
InChIInChI=1S/C13H9ClFNO3/c14-8-5-7(3-4-9(8)15)12-16-10(6-1-2-6)11(19-12)13(17)18/h3-6H,1-2H2,(H,17,18)
InChIKeyRJKRWNBTNPAQGZ-UHFFFAOYSA-N
XLogP3.71
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid
CID 114374125
2-(3-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 107942093
2-(2-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114026696
2-(3-chlorothiophen-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374437
ethyl 2-(4-bromo-3-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
CID 114372053
5-(3-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619602
2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374511
2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374227
2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 107953395
2-(3-chloro-4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 62532949
4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid
CID 114374304
2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 81284164

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid (CID 114374257) is 2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid is O=C(O)c1oc(-c2ccc(F)c(Cl)c2)nc1C1CC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is RJKRWNBTNPAQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c14-8-5-7(3-4-9(8)15)12-16-10(6-1-2-6)11(19-12)13(17)18/h3-6H,1-2H2,(H,17,18).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid?
2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 281.67 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114374257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).