N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide

C20H13N5O2 — CID 165415029

IUPACN-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide
SMILESO=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1onc2ccccc12
InChIInChI=1S/C20H13N5O2/c26-20(18-15-8-4-5-9-16(15)24-27-18)21-14-10-11-25-17(12-14)22-19(23-25)13-6-2-1-3-7-13/h1-12H,(H,21,26)
InChIKeyHYBJRGHLWBDCPC-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.79
Rot. Bonds3

About N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide

N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide (PubChem CID 165415029) has the molecular formula C20H13N5O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide
PubChem CID165415029
Molecular FormulaC20H13N5O2
Molecular Weight355.36 g/mol
Exact Mass355.11
IUPAC NameN-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide
SMILESO=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1onc2ccccc12
InChIInChI=1S/C20H13N5O2/c26-20(18-15-8-4-5-9-16(15)24-27-18)21-14-10-11-25-17(12-14)22-19(23-25)13-6-2-1-3-7-13/h1-12H,(H,21,26)
InChIKeyHYBJRGHLWBDCPC-UHFFFAOYSA-N
XLogP3.79
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide?
The IUPAC name of N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide (CID 165415029) is N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide?
The canonical SMILES for N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide is O=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1onc2ccccc12.
What is the InChIKey of N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide?
The InChIKey is HYBJRGHLWBDCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O2/c26-20(18-15-8-4-5-9-16(15)24-27-18)21-14-10-11-25-17(12-14)22-19(23-25)13-6-2-1-3-7-13/h1-12H,(H,21,26).
What are the key properties of N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide?
N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide has a molecular weight of 355.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide is sourced from PubChem (CID 165415029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).