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

C16H13N5O5S — CID 110320910

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

2-oxo-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 110320910) has the molecular formula C16H13N5O5S and a molecular weight of 387.38 g/mol. Its IUPAC name is 2-oxo-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

• Compound Name: 2-oxo-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
• PubChem CID: 110320910
• Molecular Formula: C16H13N5O5S
• Molecular Weight: 387.38 g/mol
• Exact Mass: 387.06
• IUPAC Name: 2-oxo-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
• SMILES: O=c1[nH]c2ccc(S(=O)(=O)NCCc3nnc(-c4ccncc4)o3)cc2o1
• InChI: InChI=1S/C16H13N5O5S/c22-16-19-12-2-1-11(9-13(12)25-16)27(23,24)18-8-5-14-20-21-15(26-14)10-3-6-17-7-4-10/h1-4,6-7,9,18H,5,8H2,(H,19,22)
• InChIKey: WACXYEKDQZXACQ-UHFFFAOYSA-N
• XLogP: 1.09
• TPSA: 143.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.38
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-oxo-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide (CID 110320910) is 2-oxo-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide.

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

The canonical SMILES for 2-oxo-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)NCCc3nnc(-c4ccncc4)o3)cc2o1.

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

The InChIKey is WACXYEKDQZXACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O5S/c22-16-19-12-2-1-11(9-13(12)25-16)27(23,24)18-8-5-14-20-21-15(26-14)10-3-6-17-7-4-10/h1-4,6-7,9,18H,5,8H2,(H,19,22).

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

2-oxo-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 387.38 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxo-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110320910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).