5-[3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one

C16H19N5O5S — CID 129004406

About 5-[3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one

5-[3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one (PubChem CID 129004406) has the molecular formula C16H19N5O5S and a molecular weight of 393.43 g/mol. Its IUPAC name is 5-[3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

• Compound Name: 5-[3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
• PubChem CID: 129004406
• Molecular Formula: C16H19N5O5S
• Molecular Weight: 393.43 g/mol
• Exact Mass: 393.11
• IUPAC Name: 5-[3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
• SMILES: CC(C)c1noc(C2(O)CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)C2)n1
• InChI: InChI=1S/C16H19N5O5S/c1-9(2)13-19-14(26-20-13)16(23)5-6-21(8-16)27(24,25)10-3-4-11-12(7-10)18-15(22)17-11/h3-4,7,9,23H,5-6,8H2,1-2H3,(H2,17,18,22)
• InChIKey: FSSQUWSCJOGZQV-UHFFFAOYSA-N
• XLogP: 0.64
• TPSA: 145.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.43
LogP ≤ 5	0.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?

The IUPAC name of 5-[3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one (CID 129004406) is 5-[3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one.

What is the SMILES notation for 5-[3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?

The canonical SMILES for 5-[3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one is CC(C)c1noc(C2(O)CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)C2)n1.

What is the InChIKey of 5-[3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?

The InChIKey is FSSQUWSCJOGZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O5S/c1-9(2)13-19-14(26-20-13)16(23)5-6-21(8-16)27(24,25)10-3-4-11-12(7-10)18-15(22)17-11/h3-4,7,9,23H,5-6,8H2,1-2H3,(H2,17,18,22).

What are the key properties of 5-[3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?

5-[3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one has a molecular weight of 393.43 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-hydroxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 129004406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).