N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C17H14N4O5S — CID 110319637

About N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 110319637) has the molecular formula C17H14N4O5S and a molecular weight of 386.39 g/mol. Its IUPAC name is N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

• Compound Name: N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
• PubChem CID: 110319637
• Molecular Formula: C17H14N4O5S
• Molecular Weight: 386.39 g/mol
• Exact Mass: 386.07
• IUPAC Name: N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
• SMILES: Cc1ccc(-c2nnc(CNS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)o2)cc1
• InChI: InChI=1S/C17H14N4O5S/c1-10-2-4-11(5-3-10)16-21-20-15(26-16)9-18-27(23,24)12-6-7-13-14(8-12)25-17(22)19-13/h2-8,18H,9H2,1H3,(H,19,22)
• InChIKey: WCUXIGNRPOTDEA-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 131.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.39
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?

The IUPAC name of N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 110319637) is N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

What is the SMILES notation for N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?

The canonical SMILES for N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is Cc1ccc(-c2nnc(CNS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)o2)cc1.

What is the InChIKey of N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?

The InChIKey is WCUXIGNRPOTDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O5S/c1-10-2-4-11(5-3-10)16-21-20-15(26-16)9-18-27(23,24)12-6-7-13-14(8-12)25-17(22)19-13/h2-8,18H,9H2,1H3,(H,19,22).

What are the key properties of N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?

N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 386.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110319637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).