(4R)-3-[(Z)-1,4-diphenylbut-1-en-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one

C25H19NO2 — CID 122388165

IUPAC(4R)-3-[(Z)-1,4-diphenylbut-1-en-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](c2ccccc2)N1/C(C#Cc1ccccc1)=C\c1ccccc1
InChIInChI=1S/C25H19NO2/c27-25-26(24(19-28-25)22-14-8-3-9-15-22)23(18-21-12-6-2-7-13-21)17-16-20-10-4-1-5-11-20/h1-15,18,24H,19H2/b23-18-/t24-/m0/s1
InChIKeySNLLJYSFRXGRBS-CVMULMBHSA-N
MW365.43 g/mol
LogP5.27
Rot. Bonds3

About (4R)-3-[(Z)-1,4-diphenylbut-1-en-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(Z)-1,4-diphenylbut-1-en-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 122388165) has the molecular formula C25H19NO2 and a molecular weight of 365.43 g/mol. Its IUPAC name is (4R)-3-[(Z)-1,4-diphenylbut-1-en-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(Z)-1,4-diphenylbut-1-en-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID122388165
Molecular FormulaC25H19NO2
Molecular Weight365.43 g/mol
Exact Mass365.14
IUPAC Name(4R)-3-[(Z)-1,4-diphenylbut-1-en-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](c2ccccc2)N1/C(C#Cc1ccccc1)=C\c1ccccc1
InChIInChI=1S/C25H19NO2/c27-25-26(24(19-28-25)22-14-8-3-9-15-22)23(18-21-12-6-2-7-13-21)17-16-20-10-4-1-5-11-20/h1-15,18,24H,19H2/b23-18-/t24-/m0/s1
InChIKeySNLLJYSFRXGRBS-CVMULMBHSA-N
XLogP5.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-3-[(Z)-1,4-diphenylbut-1-en-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione
CID 10482928
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 118888246
3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 22912437
(4R)-3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10848742
(4R)-4-phenyl-3-(3-phenylpent-4-enoyl)-1,3-oxazolidin-2-one
CID 15314139
(4R)-3-[(E)-3-(3-iodophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 167227898
(4R)-3-(2-cyclopentylideneacetyl)-4-phenyl-1,3-oxazolidin-2-one
CID 134866525
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
3-[3-(4-fluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 72797044
(4S)-3-[(E,2R,3S)-4-bromo-3-hydroxy-2-(2-iodoethyl)-5-phenylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 11467238
(4S)-3-[(E)-3-(3-amino-4-iodophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 12002759

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(Z)-1,4-diphenylbut-1-en-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(Z)-1,4-diphenylbut-1-en-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 122388165) is (4R)-3-[(Z)-1,4-diphenylbut-1-en-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(Z)-1,4-diphenylbut-1-en-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(Z)-1,4-diphenylbut-1-en-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one is O=C1OC[C@@H](c2ccccc2)N1/C(C#Cc1ccccc1)=C\c1ccccc1.
What is the InChIKey of (4R)-3-[(Z)-1,4-diphenylbut-1-en-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is SNLLJYSFRXGRBS-CVMULMBHSA-N. The full InChI is InChI=1S/C25H19NO2/c27-25-26(24(19-28-25)22-14-8-3-9-15-22)23(18-21-12-6-2-7-13-21)17-16-20-10-4-1-5-11-20/h1-15,18,24H,19H2/b23-18-/t24-/m0/s1.
What are the key properties of (4R)-3-[(Z)-1,4-diphenylbut-1-en-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(Z)-1,4-diphenylbut-1-en-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 365.43 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(Z)-1,4-diphenylbut-1-en-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 122388165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).