5-methyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2-oxazole-3-carboxamide

C15H11N7O2 — CID 155917099

IUPAC5-methyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3nccc(-c4ccccn4)n3n2)no1
InChIInChI=1S/C15H11N7O2/c1-9-8-11(21-24-9)13(23)18-14-19-15-17-7-5-12(22(15)20-14)10-4-2-3-6-16-10/h2-8H,1H3,(H,18,20,23)
InChIKeyBCKBIKHXRVZNEP-UHFFFAOYSA-N
MW321.30 g/mol
LogP1.74
Rot. Bonds3

About 5-methyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2-oxazole-3-carboxamide

5-methyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 155917099) has the molecular formula C15H11N7O2 and a molecular weight of 321.30 g/mol. Its IUPAC name is 5-methyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID155917099
Molecular FormulaC15H11N7O2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name5-methyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3nccc(-c4ccccn4)n3n2)no1
InChIInChI=1S/C15H11N7O2/c1-9-8-11(21-24-9)13(23)18-14-19-15-17-7-5-12(22(15)20-14)10-4-2-3-6-16-10/h2-8H,1H3,(H,18,20,23)
InChIKeyBCKBIKHXRVZNEP-UHFFFAOYSA-N
XLogP1.74
TPSA111.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2-oxazole-3-carboxamide (CID 155917099) is 5-methyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2nc3nccc(-c4ccccn4)n3n2)no1.
What is the InChIKey of 5-methyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is BCKBIKHXRVZNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N7O2/c1-9-8-11(21-24-9)13(23)18-14-19-15-17-7-5-12(22(15)20-14)10-4-2-3-6-16-10/h2-8H,1H3,(H,18,20,23).
What are the key properties of 5-methyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 321.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155917099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).