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

C19H17NO2S — CID 102071218

IUPAC(Z)-3-phenyl-1-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]but-2-en-1-one
SMILESC/C(=C/C(=O)N1C(=S)OC[C@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17NO2S/c1-14(15-8-4-2-5-9-15)12-18(21)20-17(13-22-19(20)23)16-10-6-3-7-11-16/h2-12,17H,13H2,1H3/b14-12-/t17-/m0/s1
InChIKeyQVEFQIPVQGCCKK-AINHQSCGSA-N
MW323.42 g/mol
LogP3.97
Rot. Bonds3

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

(Z)-3-phenyl-1-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]but-2-en-1-one (PubChem CID 102071218) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is (Z)-3-phenyl-1-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]but-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-phenyl-1-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]but-2-en-1-one
PubChem CID102071218
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name(Z)-3-phenyl-1-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]but-2-en-1-one
SMILESC/C(=C/C(=O)N1C(=S)OC[C@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17NO2S/c1-14(15-8-4-2-5-9-15)12-18(21)20-17(13-22-19(20)23)16-10-6-3-7-11-16/h2-12,17H,13H2,1H3/b14-12-/t17-/m0/s1
InChIKeyQVEFQIPVQGCCKK-AINHQSCGSA-N
XLogP3.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (Z)-3-phenyl-1-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]but-2-en-1-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

(4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101113986
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
4-phenylpent-3-en-2-one
CID 594380
(4S)-3-[(E)-hex-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101031105
(E)-1-(azepan-1-yl)-3-phenylbut-2-en-1-one
CID 110297075
(4R)-3-(2-cyclopentylideneacetyl)-4-phenyl-1,3-oxazolidin-2-one
CID 134866525
ethane;4-phenylpent-3-en-2-one
CID 123324566
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
(4S)-3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 170696027
dimethyl (1R,2R,3R)-3-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]cyclohex-4-ene-1,2-dicarboxylate
CID 11211072
(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 118888246

Frequently Asked Questions

What is the IUPAC name of (Z)-3-phenyl-1-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]but-2-en-1-one?
The IUPAC name of (Z)-3-phenyl-1-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]but-2-en-1-one (CID 102071218) is (Z)-3-phenyl-1-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]but-2-en-1-one.
What is the SMILES notation for (Z)-3-phenyl-1-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]but-2-en-1-one?
The canonical SMILES for (Z)-3-phenyl-1-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]but-2-en-1-one is C/C(=C/C(=O)N1C(=S)OC[C@H]1c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-3-phenyl-1-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]but-2-en-1-one?
The InChIKey is QVEFQIPVQGCCKK-AINHQSCGSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-14(15-8-4-2-5-9-15)12-18(21)20-17(13-22-19(20)23)16-10-6-3-7-11-16/h2-12,17H,13H2,1H3/b14-12-/t17-/m0/s1.
What are the key properties of (Z)-3-phenyl-1-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]but-2-en-1-one?
(Z)-3-phenyl-1-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]but-2-en-1-one has a molecular weight of 323.42 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-phenyl-1-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]but-2-en-1-one is sourced from PubChem (CID 102071218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).