3-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide

C16H15N3O2S — CID 91907229

IUPAC3-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCc1noc(-c2ccccc2)n1
InChIInChI=1S/C16H15N3O2S/c1-11-8-10-22-14(11)15(20)17-9-7-13-18-16(21-19-13)12-5-3-2-4-6-12/h2-6,8,10H,7,9H2,1H3,(H,17,20)
InChIKeyJRCSMRADGFPXFJ-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.08
Rot. Bonds5

About 3-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide

3-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide (PubChem CID 91907229) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide
PubChem CID91907229
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name3-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCc1noc(-c2ccccc2)n1
InChIInChI=1S/C16H15N3O2S/c1-11-8-10-22-14(11)15(20)17-9-7-13-18-16(21-19-13)12-5-3-2-4-6-12/h2-6,8,10H,7,9H2,1H3,(H,17,20)
InChIKeyJRCSMRADGFPXFJ-UHFFFAOYSA-N
XLogP3.08
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide 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 3-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide (CID 91907229) is 3-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)NCCc1noc(-c2ccccc2)n1.
What is the InChIKey of 3-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is JRCSMRADGFPXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-11-8-10-22-14(11)15(20)17-9-7-13-18-16(21-19-13)12-5-3-2-4-6-12/h2-6,8,10H,7,9H2,1H3,(H,17,20).
What are the key properties of 3-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide?
3-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 91907229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).