4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]-1-methyl-3-(2-methylpropyl)-6-phenylpiperazin-2-one

C25H26FN3O3 — CID 77456608

IUPAC4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]-1-methyl-3-(2-methylpropyl)-6-phenylpiperazin-2-one
SMILESCC(C)CC1C(=O)N(C)C(c2ccccc2)CN1C(=O)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C25H26FN3O3/c1-16(2)13-21-25(31)28(3)22(17-7-5-4-6-8-17)15-29(21)24(30)20-14-23(32-27-20)18-9-11-19(26)12-10-18/h4-12,14,16,21-22H,13,15H2,1-3H3
InChIKeyZEISJYBZTWIGKU-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.55
Rot. Bonds5

About 4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]-1-methyl-3-(2-methylpropyl)-6-phenylpiperazin-2-one

4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]-1-methyl-3-(2-methylpropyl)-6-phenylpiperazin-2-one (PubChem CID 77456608) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]-1-methyl-3-(2-methylpropyl)-6-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]-1-methyl-3-(2-methylpropyl)-6-phenylpiperazin-2-one
PubChem CID77456608
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]-1-methyl-3-(2-methylpropyl)-6-phenylpiperazin-2-one
SMILESCC(C)CC1C(=O)N(C)C(c2ccccc2)CN1C(=O)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C25H26FN3O3/c1-16(2)13-21-25(31)28(3)22(17-7-5-4-6-8-17)15-29(21)24(30)20-14-23(32-27-20)18-9-11-19(26)12-10-18/h4-12,14,16,21-22H,13,15H2,1-3H3
InChIKeyZEISJYBZTWIGKU-UHFFFAOYSA-N
XLogP4.55
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]-1-methyl-3-(2-methylpropyl)-6-phenylpiperazin-2-one?
The IUPAC name of 4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]-1-methyl-3-(2-methylpropyl)-6-phenylpiperazin-2-one (CID 77456608) is 4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]-1-methyl-3-(2-methylpropyl)-6-phenylpiperazin-2-one.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]-1-methyl-3-(2-methylpropyl)-6-phenylpiperazin-2-one?
The canonical SMILES for 4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]-1-methyl-3-(2-methylpropyl)-6-phenylpiperazin-2-one is CC(C)CC1C(=O)N(C)C(c2ccccc2)CN1C(=O)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]-1-methyl-3-(2-methylpropyl)-6-phenylpiperazin-2-one?
The InChIKey is ZEISJYBZTWIGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-16(2)13-21-25(31)28(3)22(17-7-5-4-6-8-17)15-29(21)24(30)20-14-23(32-27-20)18-9-11-19(26)12-10-18/h4-12,14,16,21-22H,13,15H2,1-3H3.
What are the key properties of 4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]-1-methyl-3-(2-methylpropyl)-6-phenylpiperazin-2-one?
4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]-1-methyl-3-(2-methylpropyl)-6-phenylpiperazin-2-one has a molecular weight of 435.50 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]-1-methyl-3-(2-methylpropyl)-6-phenylpiperazin-2-one is sourced from PubChem (CID 77456608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).