N-(furan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide

C20H15N3O3 — CID 3577142

IUPACN-(furan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESO=C(NCc1ccco1)c1ccccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C20H15N3O3/c24-19(21-13-15-9-6-12-25-15)16-10-4-5-11-17(16)20-22-18(23-26-20)14-7-2-1-3-8-14/h1-12H,13H2,(H,21,24)
InChIKeyORHLNELXYSTUJQ-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.93
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide

N-(furan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 3577142) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID3577142
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC NameN-(furan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESO=C(NCc1ccco1)c1ccccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C20H15N3O3/c24-19(21-13-15-9-6-12-25-15)16-10-4-5-11-17(16)20-22-18(23-26-20)14-7-2-1-3-8-14/h1-12H,13H2,(H,21,24)
InChIKeyORHLNELXYSTUJQ-UHFFFAOYSA-N
XLogP3.93
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-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-(furan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (CID 3577142) is N-(furan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is O=C(NCc1ccco1)c1ccccc1-c1nc(-c2ccccc2)no1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is ORHLNELXYSTUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-19(21-13-15-9-6-12-25-15)16-10-4-5-11-17(16)20-22-18(23-26-20)14-7-2-1-3-8-14/h1-12H,13H2,(H,21,24).
What are the key properties of N-(furan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
N-(furan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 345.36 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 3577142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).