(4S)-4-benzhydryl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one

C23H20N2O2 — CID 11111070

IUPAC(4S)-4-benzhydryl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](C(c2ccccc2)c2ccccc2)N1/N=C/c1ccccc1
InChIInChI=1S/C23H20N2O2/c26-23-25(24-16-18-10-4-1-5-11-18)21(17-27-23)22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-16,21-22H,17H2/b24-16+/t21-/m1/s1
InChIKeyHKUIFFPDPUFXDG-KCOUNZPASA-N
MW356.43 g/mol
LogP4.67
Rot. Bonds5

About (4S)-4-benzhydryl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one

(4S)-4-benzhydryl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one (PubChem CID 11111070) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (4S)-4-benzhydryl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzhydryl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one
PubChem CID11111070
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name(4S)-4-benzhydryl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](C(c2ccccc2)c2ccccc2)N1/N=C/c1ccccc1
InChIInChI=1S/C23H20N2O2/c26-23-25(24-16-18-10-4-1-5-11-18)21(17-27-23)22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-16,21-22H,17H2/b24-16+/t21-/m1/s1
InChIKeyHKUIFFPDPUFXDG-KCOUNZPASA-N
XLogP4.67
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-benzhydryl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
CID 11760765
(4S)-3-methyl-4-[(1S)-1-phenylbut-3-enyl]-1,3-oxazolidin-2-one
CID 59918948
(2S)-3-[(Z)-benzylideneamino]-2-phenyl-1-propan-2-ylimidazolidin-4-one
CID 40531961
(4S)-3-[(1S)-1-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134975680
(2R)-2-[(4S)-3-benzyl-2-oxo-1,3-oxazolidin-4-yl]propanal
CID 90414373
(2S)-3-(benzylideneamino)-2-phenyl-1,3-thiazolidin-4-one
CID 805397
(4R)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11772016
(2S)-1-[(4R)-4-benzhydryl-2-oxo-1,3-oxazolidin-3-yl]-4-phenyl-2-prop-2-enylbutane-1,4-dione
CID 135840157
(4R)-4-benzhydryl-3-(3-methylidenecyclohexanecarbonyl)-1,3-oxazolidin-2-one
CID 11291807
3-[[2-[(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 138601243
1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylethane-1,2-dione
CID 11832186
3-(benzylideneamino)-5-(chloromethyl)-1,3-oxazolidin-2-one
CID 54192964

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzhydryl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzhydryl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one (CID 11111070) is (4S)-4-benzhydryl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzhydryl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzhydryl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one is O=C1OC[C@H](C(c2ccccc2)c2ccccc2)N1/N=C/c1ccccc1.
What is the InChIKey of (4S)-4-benzhydryl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one?
The InChIKey is HKUIFFPDPUFXDG-KCOUNZPASA-N. The full InChI is InChI=1S/C23H20N2O2/c26-23-25(24-16-18-10-4-1-5-11-18)21(17-27-23)22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-16,21-22H,17H2/b24-16+/t21-/m1/s1.
What are the key properties of (4S)-4-benzhydryl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one?
(4S)-4-benzhydryl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one has a molecular weight of 356.43 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzhydryl-3-[(E)-benzylideneamino]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11111070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).