5-[(4-fluorophenyl)methyl]-3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione

C20H23FN4O3 — CID 56723279

IUPAC5-[(4-fluorophenyl)methyl]-3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESCc1nc(CN2C(=O)NC(Cc3ccc(F)cc3)(C3CCNCC3)C2=O)co1
InChIInChI=1S/C20H23FN4O3/c1-13-23-17(12-28-13)11-25-18(26)20(24-19(25)27,15-6-8-22-9-7-15)10-14-2-4-16(21)5-3-14/h2-5,12,15,22H,6-11H2,1H3,(H,24,27)
InChIKeyPQNBKHVAAHMCPQ-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.16
Rot. Bonds5

About 5-[(4-fluorophenyl)methyl]-3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione

5-[(4-fluorophenyl)methyl]-3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione (PubChem CID 56723279) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
PubChem CID56723279
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name5-[(4-fluorophenyl)methyl]-3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESCc1nc(CN2C(=O)NC(Cc3ccc(F)cc3)(C3CCNCC3)C2=O)co1
InChIInChI=1S/C20H23FN4O3/c1-13-23-17(12-28-13)11-25-18(26)20(24-19(25)27,15-6-8-22-9-7-15)10-14-2-4-16(21)5-3-14/h2-5,12,15,22H,6-11H2,1H3,(H,24,27)
InChIKeyPQNBKHVAAHMCPQ-UHFFFAOYSA-N
XLogP2.16
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione (CID 56723279) is 5-[(4-fluorophenyl)methyl]-3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione is Cc1nc(CN2C(=O)NC(Cc3ccc(F)cc3)(C3CCNCC3)C2=O)co1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
The InChIKey is PQNBKHVAAHMCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-13-23-17(12-28-13)11-25-18(26)20(24-19(25)27,15-6-8-22-9-7-15)10-14-2-4-16(21)5-3-14/h2-5,12,15,22H,6-11H2,1H3,(H,24,27).
What are the key properties of 5-[(4-fluorophenyl)methyl]-3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione?
5-[(4-fluorophenyl)methyl]-3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione has a molecular weight of 386.43 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione is sourced from PubChem (CID 56723279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).