4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide

C15H19BrN2O2 — CID 45260919

IUPAC4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide
SMILESBr.O=c1[nH]oc(C2CCNCC2)c1Cc1ccccc1
InChIInChI=1S/C15H18N2O2.BrH/c18-15-13(10-11-4-2-1-3-5-11)14(19-17-15)12-6-8-16-9-7-12;/h1-5,12,16H,6-10H2,(H,17,18);1H
InChIKeyUYADEYSJFRESSA-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.60
Rot. Bonds3

About 4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide

4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide (PubChem CID 45260919) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide.

Molecular Properties

Compound Name4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide
PubChem CID45260919
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide
SMILESBr.O=c1[nH]oc(C2CCNCC2)c1Cc1ccccc1
InChIInChI=1S/C15H18N2O2.BrH/c18-15-13(10-11-4-2-1-3-5-11)14(19-17-15)12-6-8-16-9-7-12;/h1-5,12,16H,6-10H2,(H,17,18);1H
InChIKeyUYADEYSJFRESSA-UHFFFAOYSA-N
XLogP2.60
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide 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 4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide?
The IUPAC name of 4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide (CID 45260919) is 4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide.
What is the SMILES notation for 4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide?
The canonical SMILES for 4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide is Br.O=c1[nH]oc(C2CCNCC2)c1Cc1ccccc1.
What is the InChIKey of 4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide?
The InChIKey is UYADEYSJFRESSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2.BrH/c18-15-13(10-11-4-2-1-3-5-11)14(19-17-15)12-6-8-16-9-7-12;/h1-5,12,16H,6-10H2,(H,17,18);1H.
What are the key properties of 4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide?
4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide has a molecular weight of 339.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide is sourced from PubChem (CID 45260919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).