N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide

C23H23N5O6S — CID 55766186

About N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide (PubChem CID 55766186) has the molecular formula C23H23N5O6S and a molecular weight of 497.53 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide
• PubChem CID: 55766186
• Molecular Formula: C23H23N5O6S
• Molecular Weight: 497.53 g/mol
• Exact Mass: 497.14
• IUPAC Name: N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide
• SMILES: Cc1nc(-c2ccccc2NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)no1
• InChI: InChI=1S/C23H23N5O6S/c1-15-24-22(26-34-15)17-6-2-3-7-18(17)25-21(29)10-13-28-19-9-8-16(14-20(19)33-23(28)30)35(31,32)27-11-4-5-12-27/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,25,29)
• InChIKey: ACHHVUGADPXHCK-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 140.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.53
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide?

The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide (CID 55766186) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide.

What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide?

The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide is Cc1nc(-c2ccccc2NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)no1.

What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide?

The InChIKey is ACHHVUGADPXHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O6S/c1-15-24-22(26-34-15)17-6-2-3-7-18(17)25-21(29)10-13-28-19-9-8-16(14-20(19)33-23(28)30)35(31,32)27-11-4-5-12-27/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,25,29).

What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide?

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 497.53 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 55766186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).