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

C18H18N4O2S — CID 18191743

IUPAC[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(Cc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C18H18N4O2S/c23-18(15-7-4-12-25-15)22-10-8-21(9-11-22)13-16-19-17(20-24-16)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2
InChIKeyWCGPCCAPUOZIPB-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.76
Rot. Bonds4

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

[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 18191743) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID18191743
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(Cc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C18H18N4O2S/c23-18(15-7-4-12-25-15)22-10-8-21(9-11-22)13-16-19-17(20-24-16)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2
InChIKeyWCGPCCAPUOZIPB-UHFFFAOYSA-N
XLogP2.76
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-thiophen-2-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 [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 18191743) is [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(Cc2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is WCGPCCAPUOZIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-18(15-7-4-12-25-15)22-10-8-21(9-11-22)13-16-19-17(20-24-16)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2.
What are the key properties of [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 354.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 18191743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).