4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylphenyl)piperazin-2-one

C17H20N4O2 — CID 75506316

IUPAC4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1C1C(=O)NCCN1Cc1noc(C2CC2)n1
InChIInChI=1S/C17H20N4O2/c1-11-4-2-3-5-13(11)15-16(22)18-8-9-21(15)10-14-19-17(23-20-14)12-6-7-12/h2-5,12,15H,6-10H2,1H3,(H,18,22)
InChIKeyDJYNHSPUSDSRJZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.93
Rot. Bonds4

About 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylphenyl)piperazin-2-one

4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylphenyl)piperazin-2-one (PubChem CID 75506316) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylphenyl)piperazin-2-one
PubChem CID75506316
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1C1C(=O)NCCN1Cc1noc(C2CC2)n1
InChIInChI=1S/C17H20N4O2/c1-11-4-2-3-5-13(11)15-16(22)18-8-9-21(15)10-14-19-17(23-20-14)12-6-7-12/h2-5,12,15H,6-10H2,1H3,(H,18,22)
InChIKeyDJYNHSPUSDSRJZ-UHFFFAOYSA-N
XLogP1.93
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylphenyl)piperazin-2-one 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-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylphenyl)piperazin-2-one?
The IUPAC name of 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylphenyl)piperazin-2-one (CID 75506316) is 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylphenyl)piperazin-2-one is Cc1ccccc1C1C(=O)NCCN1Cc1noc(C2CC2)n1.
What is the InChIKey of 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylphenyl)piperazin-2-one?
The InChIKey is DJYNHSPUSDSRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11-4-2-3-5-13(11)15-16(22)18-8-9-21(15)10-14-19-17(23-20-14)12-6-7-12/h2-5,12,15H,6-10H2,1H3,(H,18,22).
What are the key properties of 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylphenyl)piperazin-2-one?
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylphenyl)piperazin-2-one has a molecular weight of 312.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylphenyl)piperazin-2-one is sourced from PubChem (CID 75506316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).