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

C17H14N4O5S — CID 110320478

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

2-oxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 110320478) has the molecular formula C17H14N4O5S and a molecular weight of 386.39 g/mol. Its IUPAC name is 2-oxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

• Compound Name: 2-oxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
• PubChem CID: 110320478
• Molecular Formula: C17H14N4O5S
• Molecular Weight: 386.39 g/mol
• Exact Mass: 386.07
• IUPAC Name: 2-oxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
• SMILES: O=c1[nH]c2ccc(S(=O)(=O)NCCc3nnc(-c4ccccc4)o3)cc2o1
• InChI: InChI=1S/C17H14N4O5S/c22-17-19-13-7-6-12(10-14(13)25-17)27(23,24)18-9-8-15-20-21-16(26-15)11-4-2-1-3-5-11/h1-7,10,18H,8-9H2,(H,19,22)
• InChIKey: LGDNGRWPPGNCBE-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 131.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.39
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-oxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide (CID 110320478) is 2-oxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide.

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

The canonical SMILES for 2-oxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)NCCc3nnc(-c4ccccc4)o3)cc2o1.

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

The InChIKey is LGDNGRWPPGNCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O5S/c22-17-19-13-7-6-12(10-14(13)25-17)27(23,24)18-9-8-15-20-21-16(26-15)11-4-2-1-3-5-11/h1-7,10,18H,8-9H2,(H,19,22).

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

2-oxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 386.39 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110320478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).