(3S)-4-(4-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-1,2,4-oxadiazolidin-5-one

C20H14ClFN2O2 — CID 2019314

IUPAC(3S)-4-(4-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-1,2,4-oxadiazolidin-5-one
SMILESO=C1ON(c2ccccc2)[C@@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1
InChIInChI=1S/C20H14ClFN2O2/c21-15-8-12-17(13-9-15)23-19(14-6-10-16(22)11-7-14)24(26-20(23)25)18-4-2-1-3-5-18/h1-13,19H/t19-/m0/s1
InChIKeyAMDISVLTHOSRQJ-IBGZPJMESA-N
MW368.80 g/mol
LogP5.56
Rot. Bonds3

About (3S)-4-(4-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-1,2,4-oxadiazolidin-5-one

(3S)-4-(4-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-1,2,4-oxadiazolidin-5-one (PubChem CID 2019314) has the molecular formula C20H14ClFN2O2 and a molecular weight of 368.80 g/mol. Its IUPAC name is (3S)-4-(4-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-1,2,4-oxadiazolidin-5-one.

Molecular Properties

Compound Name(3S)-4-(4-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-1,2,4-oxadiazolidin-5-one
PubChem CID2019314
Molecular FormulaC20H14ClFN2O2
Molecular Weight368.80 g/mol
Exact Mass368.07
IUPAC Name(3S)-4-(4-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-1,2,4-oxadiazolidin-5-one
SMILESO=C1ON(c2ccccc2)[C@@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1
InChIInChI=1S/C20H14ClFN2O2/c21-15-8-12-17(13-9-15)23-19(14-6-10-16(22)11-7-14)24(26-20(23)25)18-4-2-1-3-5-18/h1-13,19H/t19-/m0/s1
InChIKeyAMDISVLTHOSRQJ-IBGZPJMESA-N
XLogP5.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.80
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-1,2,4-oxadiazolidin-5-one
CID 3253134
3-(4-fluorophenyl)-2,4-diphenyl-1,2,4-oxadiazolidin-5-one
CID 4020527
4-(4-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazolidin-5-one
CID 4285693
(3R,4S,5R)-3-(4-chlorophenyl)-4-[(4-fluorophenyl)carbamoyl]-2-phenyl-1,2-oxazolidine-5-carboxylic acid
CID 26371547
(4S)-3,3-difluoro-4-(4-fluorophenyl)-1-phenylazetidin-2-one
CID 2316341
(3R,3aS,6aR)-3-(3-bromo-4-fluorophenyl)-5-(4-chlorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 2042962
(3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one
CID 71385795
(3S,3aS,6aR)-5-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 2021002
(3S,3aR,6aR)-3,5-bis(4-chlorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 51524900
(3S,3aR,6aR)-3,5-bis(4-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7321631
(3aR,6aR)-3-(4-chlorophenyl)-1-(4-fluorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
CID 1250976
3-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 2888645

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(4-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-1,2,4-oxadiazolidin-5-one?
The IUPAC name of (3S)-4-(4-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-1,2,4-oxadiazolidin-5-one (CID 2019314) is (3S)-4-(4-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-1,2,4-oxadiazolidin-5-one.
What is the SMILES notation for (3S)-4-(4-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-1,2,4-oxadiazolidin-5-one?
The canonical SMILES for (3S)-4-(4-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-1,2,4-oxadiazolidin-5-one is O=C1ON(c2ccccc2)[C@@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1.
What is the InChIKey of (3S)-4-(4-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-1,2,4-oxadiazolidin-5-one?
The InChIKey is AMDISVLTHOSRQJ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H14ClFN2O2/c21-15-8-12-17(13-9-15)23-19(14-6-10-16(22)11-7-14)24(26-20(23)25)18-4-2-1-3-5-18/h1-13,19H/t19-/m0/s1.
What are the key properties of (3S)-4-(4-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-1,2,4-oxadiazolidin-5-one?
(3S)-4-(4-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-1,2,4-oxadiazolidin-5-one has a molecular weight of 368.80 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(4-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 2019314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).