1-[5-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione

C21H24FN3O6S — CID 158649127

About 1-[5-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione

1-[5-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione (PubChem CID 158649127) has the molecular formula C21H24FN3O6S and a molecular weight of 465.50 g/mol. Its IUPAC name is 1-[5-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[5-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione
• PubChem CID: 158649127
• Molecular Formula: C21H24FN3O6S
• Molecular Weight: 465.50 g/mol
• Exact Mass: 465.14
• IUPAC Name: 1-[5-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione
• SMILES: C[C@@H](CS(=O)(=O)CCc1cnc(N2CC(=O)NC2=O)o1)c1ccc(F)c(OCC2CC2)c1
• InChI: InChI=1S/C21H24FN3O6S/c1-13(15-4-5-17(22)18(8-15)30-11-14-2-3-14)12-32(28,29)7-6-16-9-23-21(31-16)25-10-19(26)24-20(25)27/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3,(H,24,26,27)/t13-/m0/s1
• InChIKey: IBIGYBJDSWTONC-ZDUSSCGKSA-N
• XLogP: 2.42
• TPSA: 118.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.50
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione?

The IUPAC name of 1-[5-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione (CID 158649127) is 1-[5-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione.

What is the SMILES notation for 1-[5-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione?

The canonical SMILES for 1-[5-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione is C[C@@H](CS(=O)(=O)CCc1cnc(N2CC(=O)NC2=O)o1)c1ccc(F)c(OCC2CC2)c1.

What is the InChIKey of 1-[5-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione?

The InChIKey is IBIGYBJDSWTONC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H24FN3O6S/c1-13(15-4-5-17(22)18(8-15)30-11-14-2-3-14)12-32(28,29)7-6-16-9-23-21(31-16)25-10-19(26)24-20(25)27/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3,(H,24,26,27)/t13-/m0/s1.

What are the key properties of 1-[5-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione?

1-[5-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione has a molecular weight of 465.50 g/mol, XLogP of 2.42, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 158649127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).