(3R)-3-phenyl-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one

C17H16N4O2S — CID 97236214

IUPAC(3R)-3-phenyl-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one
SMILESO=C1NCCN(Cc2noc(-c3ccsc3)n2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H16N4O2S/c22-16-15(12-4-2-1-3-5-12)21(8-7-18-16)10-14-19-17(23-20-14)13-6-9-24-11-13/h1-6,9,11,15H,7-8,10H2,(H,18,22)/t15-/m1/s1
InChIKeyGNHKKDGMCVRYQV-OAHLLOKOSA-N
MW340.41 g/mol
LogP2.47
Rot. Bonds4

About (3R)-3-phenyl-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one

(3R)-3-phenyl-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one (PubChem CID 97236214) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is (3R)-3-phenyl-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-phenyl-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one
PubChem CID97236214
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name(3R)-3-phenyl-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one
SMILESO=C1NCCN(Cc2noc(-c3ccsc3)n2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H16N4O2S/c22-16-15(12-4-2-1-3-5-12)21(8-7-18-16)10-14-19-17(23-20-14)13-6-9-24-11-13/h1-6,9,11,15H,7-8,10H2,(H,18,22)/t15-/m1/s1
InChIKeyGNHKKDGMCVRYQV-OAHLLOKOSA-N
XLogP2.47
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-3-phenyl-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]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 (3R)-3-phenyl-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one?
The IUPAC name of (3R)-3-phenyl-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one (CID 97236214) is (3R)-3-phenyl-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-phenyl-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one?
The canonical SMILES for (3R)-3-phenyl-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one is O=C1NCCN(Cc2noc(-c3ccsc3)n2)[C@@H]1c1ccccc1.
What is the InChIKey of (3R)-3-phenyl-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one?
The InChIKey is GNHKKDGMCVRYQV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-16-15(12-4-2-1-3-5-12)21(8-7-18-16)10-14-19-17(23-20-14)13-6-9-24-11-13/h1-6,9,11,15H,7-8,10H2,(H,18,22)/t15-/m1/s1.
What are the key properties of (3R)-3-phenyl-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one?
(3R)-3-phenyl-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one has a molecular weight of 340.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-2-one is sourced from PubChem (CID 97236214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).