5-[3-[4-(3,5-difluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2,5-dimethyl-1,3-oxazol-4-yl)imidazolidine-2,4-dione

C21H23F2N5O4 — CID 137468299

About 5-[3-[4-(3,5-difluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2,5-dimethyl-1,3-oxazol-4-yl)imidazolidine-2,4-dione

5-[3-[4-(3,5-difluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2,5-dimethyl-1,3-oxazol-4-yl)imidazolidine-2,4-dione (PubChem CID 137468299) has the molecular formula C21H23F2N5O4 and a molecular weight of 447.44 g/mol. Its IUPAC name is 5-[3-[4-(3,5-difluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2,5-dimethyl-1,3-oxazol-4-yl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[3-[4-(3,5-difluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2,5-dimethyl-1,3-oxazol-4-yl)imidazolidine-2,4-dione
• PubChem CID: 137468299
• Molecular Formula: C21H23F2N5O4
• Molecular Weight: 447.44 g/mol
• Exact Mass: 447.17
• IUPAC Name: 5-[3-[4-(3,5-difluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2,5-dimethyl-1,3-oxazol-4-yl)imidazolidine-2,4-dione
• SMILES: Cc1nc(C2(CCC(=O)N3CCN(c4cc(F)cc(F)c4)CC3)NC(=O)NC2=O)c(C)o1
• InChI: InChI=1S/C21H23F2N5O4/c1-12-18(24-13(2)32-12)21(19(30)25-20(31)26-21)4-3-17(29)28-7-5-27(6-8-28)16-10-14(22)9-15(23)11-16/h9-11H,3-8H2,1-2H3,(H2,25,26,30,31)
• InChIKey: JEDKZUICFAWTRU-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 107.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.44
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3,5-difluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2,5-dimethyl-1,3-oxazol-4-yl)imidazolidine-2,4-dione?

The IUPAC name of 5-[3-[4-(3,5-difluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2,5-dimethyl-1,3-oxazol-4-yl)imidazolidine-2,4-dione (CID 137468299) is 5-[3-[4-(3,5-difluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2,5-dimethyl-1,3-oxazol-4-yl)imidazolidine-2,4-dione.

What is the SMILES notation for 5-[3-[4-(3,5-difluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2,5-dimethyl-1,3-oxazol-4-yl)imidazolidine-2,4-dione?

The canonical SMILES for 5-[3-[4-(3,5-difluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2,5-dimethyl-1,3-oxazol-4-yl)imidazolidine-2,4-dione is Cc1nc(C2(CCC(=O)N3CCN(c4cc(F)cc(F)c4)CC3)NC(=O)NC2=O)c(C)o1.

What is the InChIKey of 5-[3-[4-(3,5-difluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2,5-dimethyl-1,3-oxazol-4-yl)imidazolidine-2,4-dione?

The InChIKey is JEDKZUICFAWTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O4/c1-12-18(24-13(2)32-12)21(19(30)25-20(31)26-21)4-3-17(29)28-7-5-27(6-8-28)16-10-14(22)9-15(23)11-16/h9-11H,3-8H2,1-2H3,(H2,25,26,30,31).

What are the key properties of 5-[3-[4-(3,5-difluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2,5-dimethyl-1,3-oxazol-4-yl)imidazolidine-2,4-dione?

5-[3-[4-(3,5-difluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2,5-dimethyl-1,3-oxazol-4-yl)imidazolidine-2,4-dione has a molecular weight of 447.44 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-(3,5-difluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2,5-dimethyl-1,3-oxazol-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 137468299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).