1-(1,2-benzoxazol-3-yl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide

C16H19N5O3S — CID 128995165

IUPAC1-(1,2-benzoxazol-3-yl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide
SMILESCCc1nc2n(n1)CCCC2NS(=O)(=O)Cc1noc2ccccc12
InChIInChI=1S/C16H19N5O3S/c1-2-15-17-16-12(7-5-9-21(16)18-15)20-25(22,23)10-13-11-6-3-4-8-14(11)24-19-13/h3-4,6,8,12,20H,2,5,7,9-10H2,1H3
InChIKeyDYCPJGPDRIPWCM-UHFFFAOYSA-N
MW361.43 g/mol
LogP1.94
Rot. Bonds5

About 1-(1,2-benzoxazol-3-yl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide (PubChem CID 128995165) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide
PubChem CID128995165
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide
SMILESCCc1nc2n(n1)CCCC2NS(=O)(=O)Cc1noc2ccccc12
InChIInChI=1S/C16H19N5O3S/c1-2-15-17-16-12(7-5-9-21(16)18-15)20-25(22,23)10-13-11-6-3-4-8-14(11)24-19-13/h3-4,6,8,12,20H,2,5,7,9-10H2,1H3
InChIKeyDYCPJGPDRIPWCM-UHFFFAOYSA-N
XLogP1.94
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide (CID 128995165) is 1-(1,2-benzoxazol-3-yl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide is CCc1nc2n(n1)CCCC2NS(=O)(=O)Cc1noc2ccccc12.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide?
The InChIKey is DYCPJGPDRIPWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-2-15-17-16-12(7-5-9-21(16)18-15)20-25(22,23)10-13-11-6-3-4-8-14(11)24-19-13/h3-4,6,8,12,20H,2,5,7,9-10H2,1H3.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide has a molecular weight of 361.43 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide is sourced from PubChem (CID 128995165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).