[6-(2-amino-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-morpholin-4-ylmethanone

C18H16N6O3 — CID 71037736

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESNc1nc2cc(-c3ccc4nnc(C(=O)N5CCOCC5)n4c3)ccc2o1
InChIInChI=1S/C18H16N6O3/c19-18-20-13-9-11(1-3-14(13)27-18)12-2-4-15-21-22-16(24(15)10-12)17(25)23-5-7-26-8-6-23/h1-4,9-10H,5-8H2,(H2,19,20)
InChIKeyGXKBGMUNOGEETQ-UHFFFAOYSA-N
MW364.37 g/mol
LogP1.59
Rot. Bonds2

About [6-(2-amino-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-morpholin-4-ylmethanone

[6-(2-amino-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-morpholin-4-ylmethanone (PubChem CID 71037736) has the molecular formula C18H16N6O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-morpholin-4-ylmethanone
PubChem CID71037736
Molecular FormulaC18H16N6O3
Molecular Weight364.37 g/mol
Exact Mass364.13
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESNc1nc2cc(-c3ccc4nnc(C(=O)N5CCOCC5)n4c3)ccc2o1
InChIInChI=1S/C18H16N6O3/c19-18-20-13-9-11(1-3-14(13)27-18)12-2-4-15-21-22-16(24(15)10-12)17(25)23-5-7-26-8-6-23/h1-4,9-10H,5-8H2,(H2,19,20)
InChIKeyGXKBGMUNOGEETQ-UHFFFAOYSA-N
XLogP1.59
TPSA111.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-morpholin-4-ylmethanone (CID 71037736) is [6-(2-amino-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(2-amino-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-morpholin-4-ylmethanone is Nc1nc2cc(-c3ccc4nnc(C(=O)N5CCOCC5)n4c3)ccc2o1.
What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is GXKBGMUNOGEETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3/c19-18-20-13-9-11(1-3-14(13)27-18)12-2-4-15-21-22-16(24(15)10-12)17(25)23-5-7-26-8-6-23/h1-4,9-10H,5-8H2,(H2,19,20).
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-morpholin-4-ylmethanone?
[6-(2-amino-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 364.37 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-amino-1,3-benzoxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71037736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).