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

C14H13ClN2O2 — CID 15994762

IUPAC[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2cccc(Cl)c2)on1)N1CCCC1
InChIInChI=1S/C14H13ClN2O2/c15-11-5-3-4-10(8-11)13-9-12(16-19-13)14(18)17-6-1-2-7-17/h3-5,8-9H,1-2,6-7H2
InChIKeyNZMTXAIJNJWLJD-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.23
Rot. Bonds2

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

[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 15994762) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID15994762
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2cccc(Cl)c2)on1)N1CCCC1
InChIInChI=1S/C14H13ClN2O2/c15-11-5-3-4-10(8-11)13-9-12(16-19-13)14(18)17-6-1-2-7-17/h3-5,8-9H,1-2,6-7H2
InChIKeyNZMTXAIJNJWLJD-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

Analyze [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone (CID 15994762) is [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCCC1.
What is the InChIKey of [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NZMTXAIJNJWLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-11-5-3-4-10(8-11)13-9-12(16-19-13)14(18)17-6-1-2-7-17/h3-5,8-9H,1-2,6-7H2.
What are the key properties of [5-(3-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone?
[5-(3-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-(3-chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 15994762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).