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

C20H12BrN5O2 — CID 165415111

IUPAC5-bromo-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide
SMILESO=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1onc2ccc(Br)cc12
InChIInChI=1S/C20H12BrN5O2/c21-13-6-7-16-15(10-13)18(28-25-16)20(27)22-14-8-9-26-17(11-14)23-19(24-26)12-4-2-1-3-5-12/h1-11H,(H,22,27)
InChIKeyOQNWEIQPMXLGCF-UHFFFAOYSA-N
MW434.25 g/mol
LogP4.55
Rot. Bonds3

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

5-bromo-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide (PubChem CID 165415111) has the molecular formula C20H12BrN5O2 and a molecular weight of 434.25 g/mol. Its IUPAC name is 5-bromo-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide
PubChem CID165415111
Molecular FormulaC20H12BrN5O2
Molecular Weight434.25 g/mol
Exact Mass433.02
IUPAC Name5-bromo-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide
SMILESO=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1onc2ccc(Br)cc12
InChIInChI=1S/C20H12BrN5O2/c21-13-6-7-16-15(10-13)18(28-25-16)20(27)22-14-8-9-26-17(11-14)23-19(24-26)12-4-2-1-3-5-12/h1-11H,(H,22,27)
InChIKeyOQNWEIQPMXLGCF-UHFFFAOYSA-N
XLogP4.55
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.25
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide (CID 165415111) is 5-bromo-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide is O=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1onc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide?
The InChIKey is OQNWEIQPMXLGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrN5O2/c21-13-6-7-16-15(10-13)18(28-25-16)20(27)22-14-8-9-26-17(11-14)23-19(24-26)12-4-2-1-3-5-12/h1-11H,(H,22,27).
What are the key properties of 5-bromo-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide?
5-bromo-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide has a molecular weight of 434.25 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide is sourced from PubChem (CID 165415111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).