(4S)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one;(4S)-3-[(E,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one

C40H42N2O4 — CID 139043349

IUPAC(4S)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one;(4S)-3-[(E,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H](/C(=C\N1C(=O)OC[C@@H]1C)c1ccccc1)c1ccccc1.C[C@H](/C(=C\N1C(=O)OC[C@@H]1C)c1ccccc1)c1ccccc1
InChIInChI=1S/2C20H21NO2/c2*1-15-14-23-20(22)21(15)13-19(18-11-7-4-8-12-18)16(2)17-9-5-3-6-10-17/h2*3-13,15-16H,14H2,1-2H3/b2*19-13+/t15-,16+;15-,16-/m00/s1
InChIKeyUIWLCYNAWCBRJQ-SCAUVXRWSA-N
MW614.79 g/mol
LogP9.34
Rot. Bonds8

About (4S)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one;(4S)-3-[(E,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one

(4S)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one;(4S)-3-[(E,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 139043349) has the molecular formula C40H42N2O4 and a molecular weight of 614.79 g/mol. Its IUPAC name is (4S)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one;(4S)-3-[(E,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one;(4S)-3-[(E,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID139043349
Molecular FormulaC40H42N2O4
Molecular Weight614.79 g/mol
Exact Mass614.31
IUPAC Name(4S)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one;(4S)-3-[(E,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H](/C(=C\N1C(=O)OC[C@@H]1C)c1ccccc1)c1ccccc1.C[C@H](/C(=C\N1C(=O)OC[C@@H]1C)c1ccccc1)c1ccccc1
InChIInChI=1S/2C20H21NO2/c2*1-15-14-23-20(22)21(15)13-19(18-11-7-4-8-12-18)16(2)17-9-5-3-6-10-17/h2*3-13,15-16H,14H2,1-2H3/b2*19-13+/t15-,16+;15-,16-/m00/s1
InChIKeyUIWLCYNAWCBRJQ-SCAUVXRWSA-N
XLogP9.34
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.79
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one;(4S)-3-[(E,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4S)-3-[(Z,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101348788
3-[(Z)-[(2S,5R)-2,5-diphenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 135061677
(4R)-4-methyl-3-[(3R)-3-phenyl-2-[(1S)-1-phenylethyl]but-1-enyl]-1,3-oxazolidin-2-one
CID 139037663
3-[(Z)-[(2R,6S)-3,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one;3-[(Z)-[(2S,6R)-3,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
CID 139043007
3-[(E)-2-phenyl-2-triphenylgermylethenyl]-1,3-oxazolidin-2-one
CID 168336465
(4R)-3-[(E)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11186706
(4R)-3-[(Z,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11302109
(4S)-3-[(Z)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11302110
(4R)-3-[(Z,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one
CID 11358726
(4R)-3-[(E,3S)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11416402
(4R)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11772016
ZINC bis(3-(2-ethyl-4-phenylbut-1-enyl)-1,3-oxazolidin-2-one)
CID 44474994

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one;(4S)-3-[(E,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one;(4S)-3-[(E,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one (CID 139043349) is (4S)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one;(4S)-3-[(E,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one;(4S)-3-[(E,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one;(4S)-3-[(E,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one is C[C@@H](/C(=C\N1C(=O)OC[C@@H]1C)c1ccccc1)c1ccccc1.C[C@H](/C(=C\N1C(=O)OC[C@@H]1C)c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one;(4S)-3-[(E,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is UIWLCYNAWCBRJQ-SCAUVXRWSA-N. The full InChI is InChI=1S/2C20H21NO2/c2*1-15-14-23-20(22)21(15)13-19(18-11-7-4-8-12-18)16(2)17-9-5-3-6-10-17/h2*3-13,15-16H,14H2,1-2H3/b2*19-13+/t15-,16+;15-,16-/m00/s1.
What are the key properties of (4S)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one;(4S)-3-[(E,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one?
(4S)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one;(4S)-3-[(E,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 614.79 g/mol, XLogP of 9.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one;(4S)-3-[(E,3S)-2,3-diphenylbut-1-enyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 139043349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).