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

C16H12N4O5S — CID 110318496

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

2-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 110318496) has the molecular formula C16H12N4O5S and a molecular weight of 372.36 g/mol. Its IUPAC name is 2-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

• Compound Name: 2-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide
• PubChem CID: 110318496
• Molecular Formula: C16H12N4O5S
• Molecular Weight: 372.36 g/mol
• Exact Mass: 372.05
• IUPAC Name: 2-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide
• SMILES: O=c1[nH]c2ccc(S(=O)(=O)NCc3nnc(-c4ccccc4)o3)cc2o1
• InChI: InChI=1S/C16H12N4O5S/c21-16-18-12-7-6-11(8-13(12)24-16)26(22,23)17-9-14-19-20-15(25-14)10-4-2-1-3-5-10/h1-8,17H,9H2,(H,18,21)
• InChIKey: AOICOGLEGXPPAY-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 131.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.36
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide (CID 110318496) is 2-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide.

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

The canonical SMILES for 2-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)NCc3nnc(-c4ccccc4)o3)cc2o1.

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

The InChIKey is AOICOGLEGXPPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O5S/c21-16-18-12-7-6-11(8-13(12)24-16)26(22,23)17-9-14-19-20-15(25-14)10-4-2-1-3-5-10/h1-8,17H,9H2,(H,18,21).

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

2-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 372.36 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110318496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).