(4S)-3-[(Z,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C22H25NO2 — CID 101348788

IUPAC(4S)-3-[(Z,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1/C=C(\c1ccccc1)[C@H](C)c1ccccc1
InChIInChI=1S/C22H25NO2/c1-16(2)21-15-25-22(24)23(21)14-20(19-12-8-5-9-13-19)17(3)18-10-6-4-7-11-18/h4-14,16-17,21H,15H2,1-3H3/b20-14-/t17-,21-/m1/s1
InChIKeyZLJBSEQHHRSVAH-KZMQMADNSA-N
MW335.45 g/mol
LogP5.31
Rot. Bonds5

About (4S)-3-[(Z,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(Z,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 101348788) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (4S)-3-[(Z,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(Z,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID101348788
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name(4S)-3-[(Z,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1/C=C(\c1ccccc1)[C@H](C)c1ccccc1
InChIInChI=1S/C22H25NO2/c1-16(2)21-15-25-22(24)23(21)14-20(19-12-8-5-9-13-19)17(3)18-10-6-4-7-11-18/h4-14,16-17,21H,15H2,1-3H3/b20-14-/t17-,21-/m1/s1
InChIKeyZLJBSEQHHRSVAH-KZMQMADNSA-N
XLogP5.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-3-[(Z,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-4-benzyl-3-[(Z)-2-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 177852177
(4R)-4-benzhydryl-3-propanoyl-1,3-oxazolidin-2-one
CID 11023283
(4S)-4-benzyl-3-[(Z)-2-phenyl-2-triethylsilylethenyl]-1,3-oxazolidin-2-one
CID 141535283
3-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 97928648
Ethyl 3-[2,2-bis(4-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate
CID 57075358
4-Benzyl-3-[6-(4-fluorophenyl)hexan-2-yl]-1,3-oxazolidin-2-one
CID 143671676
1-Isobutyloxycarbonyl-4-phenyl-1,4-dihydropyridine
CID 21727263
(4S)-3-[(E,2R)-2-methyl-5-phenylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10402611
(4R)-4-(Phenylmethyl)-3-(1,2-propadien-1-yl)-2-oxazolidinone
CID 10976840
(4R)-4-benzhydryl-3-[(3S)-3,4-dimethylpentanoyl]-1,3-oxazolidin-2-one
CID 11068542
(4R)-4-benzyl-3-[(E)-2-bromo-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 11152532
(4S)-4-phenyl-3-[(Z)-2-phenylprop-1-enyl]-1,3-oxazolidin-2-one
CID 11185073

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(Z,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(Z,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 101348788) is (4S)-3-[(Z,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(Z,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(Z,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1/C=C(\c1ccccc1)[C@H](C)c1ccccc1.
What is the InChIKey of (4S)-3-[(Z,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ZLJBSEQHHRSVAH-KZMQMADNSA-N. The full InChI is InChI=1S/C22H25NO2/c1-16(2)21-15-25-22(24)23(21)14-20(19-12-8-5-9-13-19)17(3)18-10-6-4-7-11-18/h4-14,16-17,21H,15H2,1-3H3/b20-14-/t17-,21-/m1/s1.
What are the key properties of (4S)-3-[(Z,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(Z,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 335.45 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(Z,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101348788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).