N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

C13H16N2O3S — CID 2741492

IUPACN-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H16N2O3S/c1-10-13(11(2)18-14-10)19(16,17)15(3)9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3
InChIKeyVPVLGOCDWKWCRR-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.11
Rot. Bonds4

About N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 2741492) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
PubChem CID2741492
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H16N2O3S/c1-10-13(11(2)18-14-10)19(16,17)15(3)9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3
InChIKeyVPVLGOCDWKWCRR-UHFFFAOYSA-N
XLogP2.11
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N,3,5-trimethyl-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 N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (CID 2741492) is N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is VPVLGOCDWKWCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-10-13(11(2)18-14-10)19(16,17)15(3)9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3.
What are the key properties of N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 2741492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).