4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide

C20H15N5O2 — CID 51116147

IUPAC4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H15N5O2/c26-19(23-20-22-18(24-25-20)17-8-4-5-13-21-17)14-9-11-16(12-10-14)27-15-6-2-1-3-7-15/h1-13H,(H2,22,23,24,25,26)
InChIKeyVRPYVJUSDBFNDV-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.91
Rot. Bonds5

About 4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide

4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 51116147) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID51116147
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H15N5O2/c26-19(23-20-22-18(24-25-20)17-8-4-5-13-21-17)14-9-11-16(12-10-14)27-15-6-2-1-3-7-15/h1-13H,(H2,22,23,24,25,26)
InChIKeyVRPYVJUSDBFNDV-UHFFFAOYSA-N
XLogP3.91
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide (CID 51116147) is 4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide is O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is VRPYVJUSDBFNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c26-19(23-20-22-18(24-25-20)17-8-4-5-13-21-17)14-9-11-16(12-10-14)27-15-6-2-1-3-7-15/h1-13H,(H2,22,23,24,25,26).
What are the key properties of 4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 357.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 51116147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).