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

C21H24FN3O6S — CID 158017779

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

1-[[5-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]-1,3-oxazol-2-yl]methyl]imidazolidine-2,4-dione (PubChem CID 158017779) has the molecular formula C21H24FN3O6S and a molecular weight of 465.50 g/mol. Its IUPAC name is 1-[[5-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]-1,3-oxazol-2-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[[5-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]-1,3-oxazol-2-yl]methyl]imidazolidine-2,4-dione
• PubChem CID: 158017779
• Molecular Formula: C21H24FN3O6S
• Molecular Weight: 465.50 g/mol
• Exact Mass: 465.14
• IUPAC Name: 1-[[5-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]-1,3-oxazol-2-yl]methyl]imidazolidine-2,4-dione
• SMILES: C[C@@H](CS(=O)(=O)Cc1cnc(CN2CC(=O)NC2=O)o1)c1ccc(F)c(OCC2CC2)c1
• InChI: InChI=1S/C21H24FN3O6S/c1-13(15-4-5-17(22)18(6-15)30-10-14-2-3-14)11-32(28,29)12-16-7-23-20(31-16)9-25-8-19(26)24-21(25)27/h4-7,13-14H,2-3,8-12H2,1H3,(H,24,26,27)/t13-/m0/s1
• InChIKey: FFRJZGYCEDWLJU-ZDUSSCGKSA-N
• XLogP: 2.37
• 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	2.37
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-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]-1,3-oxazol-2-yl]methyl]imidazolidine-2,4-dione?

The IUPAC name of 1-[[5-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]-1,3-oxazol-2-yl]methyl]imidazolidine-2,4-dione (CID 158017779) is 1-[[5-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]-1,3-oxazol-2-yl]methyl]imidazolidine-2,4-dione.

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

The canonical SMILES for 1-[[5-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]-1,3-oxazol-2-yl]methyl]imidazolidine-2,4-dione is C[C@@H](CS(=O)(=O)Cc1cnc(CN2CC(=O)NC2=O)o1)c1ccc(F)c(OCC2CC2)c1.

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

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

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

1-[[5-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]-1,3-oxazol-2-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 465.50 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-[[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylmethyl]-1,3-oxazol-2-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158017779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).