1-(1,2-oxazol-3-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]methanesulfonamide

C14H17N5O3S — CID 71975499

IUPAC1-(1,2-oxazol-3-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]methanesulfonamide
SMILESCCCC(NS(=O)(=O)Cc1ccon1)c1nnc2ccccn12
InChIInChI=1S/C14H17N5O3S/c1-2-5-12(14-16-15-13-6-3-4-8-19(13)14)18-23(20,21)10-11-7-9-22-17-11/h3-4,6-9,12,18H,2,5,10H2,1H3
InChIKeyGXZYYMBUOJXRAD-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.68
Rot. Bonds7

About 1-(1,2-oxazol-3-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]methanesulfonamide

1-(1,2-oxazol-3-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]methanesulfonamide (PubChem CID 71975499) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is 1-(1,2-oxazol-3-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-oxazol-3-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]methanesulfonamide
PubChem CID71975499
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC Name1-(1,2-oxazol-3-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]methanesulfonamide
SMILESCCCC(NS(=O)(=O)Cc1ccon1)c1nnc2ccccn12
InChIInChI=1S/C14H17N5O3S/c1-2-5-12(14-16-15-13-6-3-4-8-19(13)14)18-23(20,21)10-11-7-9-22-17-11/h3-4,6-9,12,18H,2,5,10H2,1H3
InChIKeyGXZYYMBUOJXRAD-UHFFFAOYSA-N
XLogP1.68
TPSA102.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-3-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]methanesulfonamide?
The IUPAC name of 1-(1,2-oxazol-3-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]methanesulfonamide (CID 71975499) is 1-(1,2-oxazol-3-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]methanesulfonamide.
What is the SMILES notation for 1-(1,2-oxazol-3-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]methanesulfonamide?
The canonical SMILES for 1-(1,2-oxazol-3-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]methanesulfonamide is CCCC(NS(=O)(=O)Cc1ccon1)c1nnc2ccccn12.
What is the InChIKey of 1-(1,2-oxazol-3-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]methanesulfonamide?
The InChIKey is GXZYYMBUOJXRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-2-5-12(14-16-15-13-6-3-4-8-19(13)14)18-23(20,21)10-11-7-9-22-17-11/h3-4,6-9,12,18H,2,5,10H2,1H3.
What are the key properties of 1-(1,2-oxazol-3-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]methanesulfonamide?
1-(1,2-oxazol-3-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]methanesulfonamide has a molecular weight of 335.39 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-3-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]methanesulfonamide is sourced from PubChem (CID 71975499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).