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

C27H21ClN2O3 — CID 4285693

IUPAC4-(4-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazolidin-5-one
SMILESO=C1ON(c2ccccc2)C(c2ccc(OCc3ccccc3)cc2)N1c1ccc(Cl)cc1
InChIInChI=1S/C27H21ClN2O3/c28-22-13-15-23(16-14-22)29-26(30(33-27(29)31)24-9-5-2-6-10-24)21-11-17-25(18-12-21)32-19-20-7-3-1-4-8-20/h1-18,26H,19H2
InChIKeyZWRKZFMOPYPPSG-UHFFFAOYSA-N
MW456.93 g/mol
LogP7.00
Rot. Bonds6

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

4-(4-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazolidin-5-one (PubChem CID 4285693) has the molecular formula C27H21ClN2O3 and a molecular weight of 456.93 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazolidin-5-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazolidin-5-one
PubChem CID4285693
Molecular FormulaC27H21ClN2O3
Molecular Weight456.93 g/mol
Exact Mass456.12
IUPAC Name4-(4-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazolidin-5-one
SMILESO=C1ON(c2ccccc2)C(c2ccc(OCc3ccccc3)cc2)N1c1ccc(Cl)cc1
InChIInChI=1S/C27H21ClN2O3/c28-22-13-15-23(16-14-22)29-26(30(33-27(29)31)24-9-5-2-6-10-24)21-11-17-25(18-12-21)32-19-20-7-3-1-4-8-20/h1-18,26H,19H2
InChIKeyZWRKZFMOPYPPSG-UHFFFAOYSA-N
XLogP7.00
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.93
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-1,2,4-oxadiazolidin-5-one
CID 3253134
(3S)-4-(4-chlorophenyl)-3-(4-fluorophenyl)-2-phenyl-1,2,4-oxadiazolidin-5-one
CID 2019314
3-(4-fluorophenyl)-2,4-diphenyl-1,2,4-oxadiazolidin-5-one
CID 4020527
(4R,5S)-5-(hydroxymethyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 69124656
(2S,5E)-2-(4-chlorophenyl)-3-(4-methylphenyl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 40871901
5-(3-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 4660928
(4R,5S)-3-[4-(dimethylamino)phenyl]-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 91012413
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
(4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 10882566
7,7-dimethyl-1,3-diphenyl-2-(4-phenylmethoxyphenyl)-2,4,6,8-tetrahydroquinazolin-5-one
CID 162664493
2-(4-chlorophenyl)-6-phenylmethoxy-1-benzofuran-3-one
CID 11772503
7-chloro-2-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853386

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazolidin-5-one?
The IUPAC name of 4-(4-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazolidin-5-one (CID 4285693) is 4-(4-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazolidin-5-one.
What is the SMILES notation for 4-(4-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazolidin-5-one?
The canonical SMILES for 4-(4-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazolidin-5-one is O=C1ON(c2ccccc2)C(c2ccc(OCc3ccccc3)cc2)N1c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazolidin-5-one?
The InChIKey is ZWRKZFMOPYPPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN2O3/c28-22-13-15-23(16-14-22)29-26(30(33-27(29)31)24-9-5-2-6-10-24)21-11-17-25(18-12-21)32-19-20-7-3-1-4-8-20/h1-18,26H,19H2.
What are the key properties of 4-(4-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazolidin-5-one?
4-(4-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazolidin-5-one has a molecular weight of 456.93 g/mol, XLogP of 7.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 4285693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).