3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-pentan-3-ylpropanamide

C19H27N3O5S — CID 24680995

About 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-pentan-3-ylpropanamide

3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-pentan-3-ylpropanamide (PubChem CID 24680995) has the molecular formula C19H27N3O5S and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-pentan-3-ylpropanamide.

Molecular Properties

• Compound Name: 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-pentan-3-ylpropanamide
• PubChem CID: 24680995
• Molecular Formula: C19H27N3O5S
• Molecular Weight: 409.51 g/mol
• Exact Mass: 409.17
• IUPAC Name: 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-pentan-3-ylpropanamide
• SMILES: CCC(CC)NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21
• InChI: InChI=1S/C19H27N3O5S/c1-3-14(4-2)20-18(23)9-12-22-16-8-7-15(13-17(16)27-19(22)24)28(25,26)21-10-5-6-11-21/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,20,23)
• InChIKey: QCGNNFHDRYIXEA-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 101.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.51
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-pentan-3-ylpropanamide (CID 24680995) is 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-pentan-3-ylpropanamide.

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

The canonical SMILES for 3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21.

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

The InChIKey is QCGNNFHDRYIXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5S/c1-3-14(4-2)20-18(23)9-12-22-16-8-7-15(13-17(16)27-19(22)24)28(25,26)21-10-5-6-11-21/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,20,23).

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

3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-pentan-3-ylpropanamide has a molecular weight of 409.51 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 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-pentan-3-ylpropanamide is sourced from PubChem (CID 24680995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).