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

C13H9BrClNO3 — CID 114026696

IUPAC2-(2-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(-c2cc(Cl)ccc2Br)nc1C1CC1
InChIInChI=1S/C13H9BrClNO3/c14-9-4-3-7(15)5-8(9)12-16-10(6-1-2-6)11(19-12)13(17)18/h3-6H,1-2H2,(H,17,18)
InChIKeyOXOMJWNBNCDUGN-UHFFFAOYSA-N
MW342.58 g/mol
LogP4.33
Rot. Bonds3

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

2-(2-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid (PubChem CID 114026696) has the molecular formula C13H9BrClNO3 and a molecular weight of 342.58 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
PubChem CID114026696
Molecular FormulaC13H9BrClNO3
Molecular Weight342.58 g/mol
Exact Mass340.95
IUPAC Name2-(2-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(-c2cc(Cl)ccc2Br)nc1C1CC1
InChIInChI=1S/C13H9BrClNO3/c14-9-4-3-7(15)5-8(9)12-16-10(6-1-2-6)11(19-12)13(17)18/h3-6H,1-2H2,(H,17,18)
InChIKeyOXOMJWNBNCDUGN-UHFFFAOYSA-N
XLogP4.33
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.58
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 107942093
2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374257
2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374511
4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid
CID 114374125
2-(3-chlorothiophen-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374437
2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374227
4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid
CID 114374304
2-(2-bromo-5-chlorophenyl)-5-cyclohexyl-1,3,4-oxadiazole
CID 104538231
5-bromo-2-(2-bromo-5-chlorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136730028
4-cyclopropyl-2-(2,5-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114076223
2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953853
N-[[5-(2-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 114026356

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid (CID 114026696) is 2-(2-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid is O=C(O)c1oc(-c2cc(Cl)ccc2Br)nc1C1CC1.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is OXOMJWNBNCDUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO3/c14-9-4-3-7(15)5-8(9)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-(2-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid?
2-(2-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 342.58 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114026696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).