3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(1-propylbenzimidazol-2-yl)propanamide

C24H27N5O5S — CID 24509123

About 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(1-propylbenzimidazol-2-yl)propanamide

3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(1-propylbenzimidazol-2-yl)propanamide (PubChem CID 24509123) has the molecular formula C24H27N5O5S and a molecular weight of 497.58 g/mol. Its IUPAC name is 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(1-propylbenzimidazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(1-propylbenzimidazol-2-yl)propanamide
• PubChem CID: 24509123
• Molecular Formula: C24H27N5O5S
• Molecular Weight: 497.58 g/mol
• Exact Mass: 497.17
• IUPAC Name: 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(1-propylbenzimidazol-2-yl)propanamide
• SMILES: CCCn1c(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)nc2ccccc21
• InChI: InChI=1S/C24H27N5O5S/c1-2-12-28-19-8-4-3-7-18(19)25-23(28)26-22(30)11-15-29-20-10-9-17(16-21(20)34-24(29)31)35(32,33)27-13-5-6-14-27/h3-4,7-10,16H,2,5-6,11-15H2,1H3,(H,25,26,30)
• InChIKey: HNKLJRVEQMYWBE-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 119.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.58
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(1-propylbenzimidazol-2-yl)propanamide?

The IUPAC name of 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(1-propylbenzimidazol-2-yl)propanamide (CID 24509123) is 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(1-propylbenzimidazol-2-yl)propanamide.

What is the SMILES notation for 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(1-propylbenzimidazol-2-yl)propanamide?

The canonical SMILES for 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(1-propylbenzimidazol-2-yl)propanamide is CCCn1c(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)nc2ccccc21.

What is the InChIKey of 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(1-propylbenzimidazol-2-yl)propanamide?

The InChIKey is HNKLJRVEQMYWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O5S/c1-2-12-28-19-8-4-3-7-18(19)25-23(28)26-22(30)11-15-29-20-10-9-17(16-21(20)34-24(29)31)35(32,33)27-13-5-6-14-27/h3-4,7-10,16H,2,5-6,11-15H2,1H3,(H,25,26,30).

What are the key properties of 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(1-propylbenzimidazol-2-yl)propanamide?

3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(1-propylbenzimidazol-2-yl)propanamide has a molecular weight of 497.58 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(1-propylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 24509123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).