N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide

C20H15N5O3 — CID 660706

IUPACN-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide
SMILESO=C(Nc1nc(NC(=O)c2ccco2)n(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C20H15N5O3/c26-17(14-8-3-1-4-9-14)21-19-23-20(22-18(27)16-12-7-13-28-16)25(24-19)15-10-5-2-6-11-15/h1-13H,(H2,21,22,23,24,26,27)
InChIKeyQUXWYCJKIJREBQ-UHFFFAOYSA-N
MW373.37 g/mol
LogP3.36
Rot. Bonds5

About N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide

N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide (PubChem CID 660706) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide
PubChem CID660706
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC NameN-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide
SMILESO=C(Nc1nc(NC(=O)c2ccco2)n(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C20H15N5O3/c26-17(14-8-3-1-4-9-14)21-19-23-20(22-18(27)16-12-7-13-28-16)25(24-19)15-10-5-2-6-11-15/h1-13H,(H2,21,22,23,24,26,27)
InChIKeyQUXWYCJKIJREBQ-UHFFFAOYSA-N
XLogP3.36
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide?
The IUPAC name of N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide (CID 660706) is N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide?
The canonical SMILES for N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide is O=C(Nc1nc(NC(=O)c2ccco2)n(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide?
The InChIKey is QUXWYCJKIJREBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c26-17(14-8-3-1-4-9-14)21-19-23-20(22-18(27)16-12-7-13-28-16)25(24-19)15-10-5-2-6-11-15/h1-13H,(H2,21,22,23,24,26,27).
What are the key properties of N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide?
N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide has a molecular weight of 373.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 660706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).