3-methyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazole-7-carboxamide

C15H11N5O3 — CID 75446985

IUPAC3-methyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazole-7-carboxamide
SMILESCn1c(=O)oc2c(C(=O)Nc3ccc4nncn4c3)cccc21
InChIInChI=1S/C15H11N5O3/c1-19-11-4-2-3-10(13(11)23-15(19)22)14(21)17-9-5-6-12-18-16-8-20(12)7-9/h2-8H,1H3,(H,17,21)
InChIKeyGVTNXLQLQLCGIV-UHFFFAOYSA-N
MW309.29 g/mol
LogP1.43
Rot. Bonds2

About 3-methyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazole-7-carboxamide

3-methyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazole-7-carboxamide (PubChem CID 75446985) has the molecular formula C15H11N5O3 and a molecular weight of 309.29 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazole-7-carboxamide
PubChem CID75446985
Molecular FormulaC15H11N5O3
Molecular Weight309.29 g/mol
Exact Mass309.09
IUPAC Name3-methyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazole-7-carboxamide
SMILESCn1c(=O)oc2c(C(=O)Nc3ccc4nncn4c3)cccc21
InChIInChI=1S/C15H11N5O3/c1-19-11-4-2-3-10(13(11)23-15(19)22)14(21)17-9-5-6-12-18-16-8-20(12)7-9/h2-8H,1H3,(H,17,21)
InChIKeyGVTNXLQLQLCGIV-UHFFFAOYSA-N
XLogP1.43
TPSA94.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazole-7-carboxamide?
The IUPAC name of 3-methyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazole-7-carboxamide (CID 75446985) is 3-methyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for 3-methyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for 3-methyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazole-7-carboxamide is Cn1c(=O)oc2c(C(=O)Nc3ccc4nncn4c3)cccc21.
What is the InChIKey of 3-methyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazole-7-carboxamide?
The InChIKey is GVTNXLQLQLCGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O3/c1-19-11-4-2-3-10(13(11)23-15(19)22)14(21)17-9-5-6-12-18-16-8-20(12)7-9/h2-8H,1H3,(H,17,21).
What are the key properties of 3-methyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazole-7-carboxamide?
3-methyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazole-7-carboxamide has a molecular weight of 309.29 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 75446985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).