3,5-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide

C13H14N6O3S — CID 121022976

IUPAC3,5-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1cn(-c2cccnc2)nn1
InChIInChI=1S/C13H14N6O3S/c1-9-13(10(2)22-17-9)23(20,21)15-6-11-8-19(18-16-11)12-4-3-5-14-7-12/h3-5,7-8,15H,6H2,1-2H3
InChIKeyUKMRPIWYKXDBQX-UHFFFAOYSA-N
MW334.36 g/mol
LogP0.75
Rot. Bonds5

About 3,5-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 121022976) has the molecular formula C13H14N6O3S and a molecular weight of 334.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide
PubChem CID121022976
Molecular FormulaC13H14N6O3S
Molecular Weight334.36 g/mol
Exact Mass334.08
IUPAC Name3,5-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1cn(-c2cccnc2)nn1
InChIInChI=1S/C13H14N6O3S/c1-9-13(10(2)22-17-9)23(20,21)15-6-11-8-19(18-16-11)12-4-3-5-14-7-12/h3-5,7-8,15H,6H2,1-2H3
InChIKeyUKMRPIWYKXDBQX-UHFFFAOYSA-N
XLogP0.75
TPSA115.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3,5-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide (CID 121022976) is 3,5-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCc1cn(-c2cccnc2)nn1.
What is the InChIKey of 3,5-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is UKMRPIWYKXDBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O3S/c1-9-13(10(2)22-17-9)23(20,21)15-6-11-8-19(18-16-11)12-4-3-5-14-7-12/h3-5,7-8,15H,6H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 334.36 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 121022976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).