4-bromo-N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide

C15H14BrFN2O2 — CID 53325573

IUPAC4-bromo-N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1noc(-c2ccc(F)cc2)c1Br
InChIInChI=1S/C15H14BrFN2O2/c16-12-13(15(20)18-11-3-1-2-4-11)19-21-14(12)9-5-7-10(17)8-6-9/h5-8,11H,1-4H2,(H,18,20)
InChIKeyJKXZVPMYUXNSNS-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.92
Rot. Bonds3

About 4-bromo-N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide

4-bromo-N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 53325573) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 4-bromo-N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID53325573
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name4-bromo-N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1noc(-c2ccc(F)cc2)c1Br
InChIInChI=1S/C15H14BrFN2O2/c16-12-13(15(20)18-11-3-1-2-4-11)19-21-14(12)9-5-7-10(17)8-6-9/h5-8,11H,1-4H2,(H,18,20)
InChIKeyJKXZVPMYUXNSNS-UHFFFAOYSA-N
XLogP3.92
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
5-(4-chlorophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 6619223
5-(3-chlorophenyl)-N-cyclopentyl-3-isoxazolecarboxamide
CID 15993274
N-cyclopentyl-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 17252686
N-(3-(2-hydroxynicotinamido)propyl)-5-phenylisoxazole-3-carboxamide
CID 60167648
N-cyclopentyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093736
N-cyclohexyl-5-(4-fluorophenyl)-3-isoxazolecarboxamide
CID 15992620
(5-Phenyl-3-isoxazolyl)-(1-pyrrolidinyl)methanone
CID 973874
N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3236125
N-allyl-5-(4-bromophenyl)isoxazole-3-carboxamide
CID 3238993
N-(1-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 3240699

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-bromo-N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide (CID 53325573) is 4-bromo-N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide is O=C(NC1CCCC1)c1noc(-c2ccc(F)cc2)c1Br.
What is the InChIKey of 4-bromo-N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is JKXZVPMYUXNSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c16-12-13(15(20)18-11-3-1-2-4-11)19-21-14(12)9-5-7-10(17)8-6-9/h5-8,11H,1-4H2,(H,18,20).
What are the key properties of 4-bromo-N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
4-bromo-N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 353.19 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53325573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).