N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide

C14H11N3O2S — CID 42109993

IUPACN-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(Cc2cccs2)o1)c1ccccc1
InChIInChI=1S/C14H11N3O2S/c18-13(10-5-2-1-3-6-10)15-14-17-16-12(19-14)9-11-7-4-8-20-11/h1-8H,9H2,(H,15,17,18)
InChIKeyKDFPSAMPWJLIAI-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.97
Rot. Bonds4

About N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide

N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 42109993) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID42109993
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(Cc2cccs2)o1)c1ccccc1
InChIInChI=1S/C14H11N3O2S/c18-13(10-5-2-1-3-6-10)15-14-17-16-12(19-14)9-11-7-4-8-20-11/h1-8H,9H2,(H,15,17,18)
InChIKeyKDFPSAMPWJLIAI-UHFFFAOYSA-N
XLogP2.97
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide 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 N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 42109993) is N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(Cc2cccs2)o1)c1ccccc1.
What is the InChIKey of N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is KDFPSAMPWJLIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-13(10-5-2-1-3-6-10)15-14-17-16-12(19-14)9-11-7-4-8-20-11/h1-8H,9H2,(H,15,17,18).
What are the key properties of N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 285.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 42109993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).