3,5-dimethyl-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide

C17H21N5O3S — CID 53090379

About 3,5-dimethyl-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide (PubChem CID 53090379) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

• Compound Name: 3,5-dimethyl-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide
• PubChem CID: 53090379
• Molecular Formula: C17H21N5O3S
• Molecular Weight: 375.45 g/mol
• Exact Mass: 375.14
• IUPAC Name: 3,5-dimethyl-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide
• SMILES: Cc1ccc(Cc2nc(CCNS(=O)(=O)c3c(C)noc3C)n[nH]2)cc1
• InChI: InChI=1S/C17H21N5O3S/c1-11-4-6-14(7-5-11)10-16-19-15(20-21-16)8-9-18-26(23,24)17-12(2)22-25-13(17)3/h4-7,18H,8-10H2,1-3H3,(H,19,20,21)
• InChIKey: HIXMHQFIEYZCJQ-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 113.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.45
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide?

The IUPAC name of 3,5-dimethyl-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide (CID 53090379) is 3,5-dimethyl-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide.

What is the SMILES notation for 3,5-dimethyl-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide?

The canonical SMILES for 3,5-dimethyl-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide is Cc1ccc(Cc2nc(CCNS(=O)(=O)c3c(C)noc3C)n[nH]2)cc1.

What is the InChIKey of 3,5-dimethyl-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide?

The InChIKey is HIXMHQFIEYZCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-11-4-6-14(7-5-11)10-16-19-15(20-21-16)8-9-18-26(23,24)17-12(2)22-25-13(17)3/h4-7,18H,8-10H2,1-3H3,(H,19,20,21).

What are the key properties of 3,5-dimethyl-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide?

3,5-dimethyl-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 375.45 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 53090379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).