3-(4-fluorophenyl)-2,4-diphenyl-1,2,4-oxadiazolidin-5-one

C20H15FN2O2 — CID 4020527

IUPAC3-(4-fluorophenyl)-2,4-diphenyl-1,2,4-oxadiazolidin-5-one
SMILESO=C1ON(c2ccccc2)C(c2ccc(F)cc2)N1c1ccccc1
InChIInChI=1S/C20H15FN2O2/c21-16-13-11-15(12-14-16)19-22(17-7-3-1-4-8-17)20(24)25-23(19)18-9-5-2-6-10-18/h1-14,19H
InChIKeyRAOINHTZOICECU-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.90
Rot. Bonds3

About 3-(4-fluorophenyl)-2,4-diphenyl-1,2,4-oxadiazolidin-5-one

3-(4-fluorophenyl)-2,4-diphenyl-1,2,4-oxadiazolidin-5-one (PubChem CID 4020527) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2,4-diphenyl-1,2,4-oxadiazolidin-5-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2,4-diphenyl-1,2,4-oxadiazolidin-5-one
PubChem CID4020527
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Name3-(4-fluorophenyl)-2,4-diphenyl-1,2,4-oxadiazolidin-5-one
SMILESO=C1ON(c2ccccc2)C(c2ccc(F)cc2)N1c1ccccc1
InChIInChI=1S/C20H15FN2O2/c21-16-13-11-15(12-14-16)19-22(17-7-3-1-4-8-17)20(24)25-23(19)18-9-5-2-6-10-18/h1-14,19H
InChIKeyRAOINHTZOICECU-UHFFFAOYSA-N
XLogP4.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ccg-50014
CID 2733079
1-(4-fluorobenzyl)-3-(4-fluorophenyl)tetrahydro-2H-imidazol-2-one
CID 4205196
1,3-Bis-(2-fluoro-benzyl)-1,3-dihydro-benzoimidazol-2-one
CID 1077054
4-[(4-Fluorophenyl)methyl]-2-(3-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
CID 25125122
4-Benzyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione
CID 70681821
4-Benzyl-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione
CID 70681828
4-[(4-Fluorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione
CID 70692374
4-[(4-Fluorophenyl)methyl]-2-phenyl-1,2,4-thiadiazolidine-3,5-dione
CID 70694433
6-Amino-3-benzyl-1-(4-fluorophenyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2822870
4-(4-fluorophenyl)-N-phenyl-3,6-dihydro-1(2H)-pyridinecarboxamide
CID 2980777
2,3,4-Triphenyl-1,2,4-oxadiazolidin-5-one
CID 266002
4-(3-Chlorophenyl)-2,3-diphenyl-1,2,4-oxadiazolidin-5-one
CID 52520

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2,4-diphenyl-1,2,4-oxadiazolidin-5-one?
The IUPAC name of 3-(4-fluorophenyl)-2,4-diphenyl-1,2,4-oxadiazolidin-5-one (CID 4020527) is 3-(4-fluorophenyl)-2,4-diphenyl-1,2,4-oxadiazolidin-5-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2,4-diphenyl-1,2,4-oxadiazolidin-5-one?
The canonical SMILES for 3-(4-fluorophenyl)-2,4-diphenyl-1,2,4-oxadiazolidin-5-one is O=C1ON(c2ccccc2)C(c2ccc(F)cc2)N1c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-2,4-diphenyl-1,2,4-oxadiazolidin-5-one?
The InChIKey is RAOINHTZOICECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2/c21-16-13-11-15(12-14-16)19-22(17-7-3-1-4-8-17)20(24)25-23(19)18-9-5-2-6-10-18/h1-14,19H.
What are the key properties of 3-(4-fluorophenyl)-2,4-diphenyl-1,2,4-oxadiazolidin-5-one?
3-(4-fluorophenyl)-2,4-diphenyl-1,2,4-oxadiazolidin-5-one has a molecular weight of 334.35 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2,4-diphenyl-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 4020527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).