4-(2-phenylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide

C16H21BrN2O2 — CID 45264713

IUPAC4-(2-phenylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide
SMILESBr.O=c1[nH]oc(C2CCNCC2)c1CCc1ccccc1
InChIInChI=1S/C16H20N2O2.BrH/c19-16-14(7-6-12-4-2-1-3-5-12)15(20-18-16)13-8-10-17-11-9-13;/h1-5,13,17H,6-11H2,(H,18,19);1H
InChIKeyIVMGUVOXVUULGW-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.80
Rot. Bonds4

About 4-(2-phenylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide

4-(2-phenylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide (PubChem CID 45264713) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 4-(2-phenylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide.

Molecular Properties

Compound Name4-(2-phenylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide
PubChem CID45264713
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name4-(2-phenylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide
SMILESBr.O=c1[nH]oc(C2CCNCC2)c1CCc1ccccc1
InChIInChI=1S/C16H20N2O2.BrH/c19-16-14(7-6-12-4-2-1-3-5-12)15(20-18-16)13-8-10-17-11-9-13;/h1-5,13,17H,6-11H2,(H,18,19);1H
InChIKeyIVMGUVOXVUULGW-UHFFFAOYSA-N
XLogP2.80
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-phenylethyl)-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-(2-phenylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide?
The IUPAC name of 4-(2-phenylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide (CID 45264713) is 4-(2-phenylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide.
What is the SMILES notation for 4-(2-phenylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide?
The canonical SMILES for 4-(2-phenylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide is Br.O=c1[nH]oc(C2CCNCC2)c1CCc1ccccc1.
What is the InChIKey of 4-(2-phenylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide?
The InChIKey is IVMGUVOXVUULGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.BrH/c19-16-14(7-6-12-4-2-1-3-5-12)15(20-18-16)13-8-10-17-11-9-13;/h1-5,13,17H,6-11H2,(H,18,19);1H.
What are the key properties of 4-(2-phenylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide?
4-(2-phenylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide has a molecular weight of 353.26 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-5-piperidin-4-yl-1,2-oxazol-3-one;hydrobromide is sourced from PubChem (CID 45264713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).