[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone

C14H13ClN2O2 — CID 4073195

IUPAC[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCCC1
InChIInChI=1S/C14H13ClN2O2/c15-11-5-3-10(4-6-11)13-9-12(16-19-13)14(18)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2
InChIKeyZJBVNPNXWLBYND-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.23
Rot. Bonds2

About [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone

[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 4073195) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID4073195
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCCC1
InChIInChI=1S/C14H13ClN2O2/c15-11-5-3-10(4-6-11)13-9-12(16-19-13)14(18)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2
InChIKeyZJBVNPNXWLBYND-UHFFFAOYSA-N
XLogP3.23
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-[(3,4-Dichlorobenzoyl)amino]ethyl]-N-hydroxy-3-isoxazolecarboxamide
CID 135348858
5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 3243805
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093787
N-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 1093826
Azepan-1-yl-[5-(2,4-dichloro-phenyl)-isoxazol-3-yl]-methanone
CID 1093827
5-(2-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 1093865
5-(2-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 1093869
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
5-Phenylisoxazol-3-yl 4-phenylpiperazinyl ketone
CID 1250455

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone (CID 4073195) is [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCCC1.
What is the InChIKey of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZJBVNPNXWLBYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-11-5-3-10(4-6-11)13-9-12(16-19-13)14(18)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2.
What are the key properties of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 276.72 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 4073195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).