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

C22H25NO2 — CID 11302110

IUPAC(4S)-3-[(Z)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(/C(=C/N1C(=O)OC[C@@H]1C(C)C)c1ccccc1)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-DRPWZSEGSA-N
MW335.45 g/mol
LogP5.31
Rot. Bonds5

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

(4S)-3-[(Z)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11302110) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (4S)-3-[(Z)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(Z)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11302110
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name(4S)-3-[(Z)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(/C(=C/N1C(=O)OC[C@@H]1C(C)C)c1ccccc1)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-DRPWZSEGSA-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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(Z)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(Z)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11302110) is (4S)-3-[(Z)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(Z)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(Z)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(/C(=C/N1C(=O)OC[C@@H]1C(C)C)c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-3-[(Z)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ZLJBSEQHHRSVAH-DRPWZSEGSA-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)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(Z)-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)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11302110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).