1-[2-(1,2-diphenylethylimino)-1,3-oxazolidin-3-yl]ethanone;ethane

C23H32N2O2 — CID 90702273

IUPAC1-[2-(1,2-diphenylethylimino)-1,3-oxazolidin-3-yl]ethanone;ethane
SMILESCC.CC.CC(=O)N1CCO/C1=N\C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O2.2C2H6/c1-15(22)21-12-13-23-19(21)20-18(17-10-6-3-7-11-17)14-16-8-4-2-5-9-16;2*1-2/h2-11,18H,12-14H2,1H3;2*1-2H3/b20-19-;;
InChIKeyUTYCDYVJMREQDE-YSRXXYTISA-N
MW368.52 g/mol
LogP5.26
Rot. Bonds4

About 1-[2-(1,2-diphenylethylimino)-1,3-oxazolidin-3-yl]ethanone;ethane

1-[2-(1,2-diphenylethylimino)-1,3-oxazolidin-3-yl]ethanone;ethane (PubChem CID 90702273) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-[2-(1,2-diphenylethylimino)-1,3-oxazolidin-3-yl]ethanone;ethane.

Molecular Properties

Compound Name1-[2-(1,2-diphenylethylimino)-1,3-oxazolidin-3-yl]ethanone;ethane
PubChem CID90702273
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name1-[2-(1,2-diphenylethylimino)-1,3-oxazolidin-3-yl]ethanone;ethane
SMILESCC.CC.CC(=O)N1CCO/C1=N\C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O2.2C2H6/c1-15(22)21-12-13-23-19(21)20-18(17-10-6-3-7-11-17)14-16-8-4-2-5-9-16;2*1-2/h2-11,18H,12-14H2,1H3;2*1-2H3/b20-19-;;
InChIKeyUTYCDYVJMREQDE-YSRXXYTISA-N
XLogP5.26
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.26
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

3-[3-phenyl-2-(4-phenylphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 166438755
S-[(2R)-2-benzyl-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl] ethanethioate
CID 102197437
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1,2-diphenylethyl)-4-oxobutanamide
CID 56563124
3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 10682057
[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl] 2-oxo-1,3-oxazolidine-3-carboxylate
CID 18638958
3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 11139889
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
benzyl N-[(1R,2R)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)-1-phenylbutyl]carbamate
CID 139117529
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(1R)-1,2-diphenylethanol
CID 1379022
3-[3-(1,3-benzodioxol-5-yl)-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 10735812

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-diphenylethylimino)-1,3-oxazolidin-3-yl]ethanone;ethane?
The IUPAC name of 1-[2-(1,2-diphenylethylimino)-1,3-oxazolidin-3-yl]ethanone;ethane (CID 90702273) is 1-[2-(1,2-diphenylethylimino)-1,3-oxazolidin-3-yl]ethanone;ethane.
What is the SMILES notation for 1-[2-(1,2-diphenylethylimino)-1,3-oxazolidin-3-yl]ethanone;ethane?
The canonical SMILES for 1-[2-(1,2-diphenylethylimino)-1,3-oxazolidin-3-yl]ethanone;ethane is CC.CC.CC(=O)N1CCO/C1=N\C(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[2-(1,2-diphenylethylimino)-1,3-oxazolidin-3-yl]ethanone;ethane?
The InChIKey is UTYCDYVJMREQDE-YSRXXYTISA-N. The full InChI is InChI=1S/C19H20N2O2.2C2H6/c1-15(22)21-12-13-23-19(21)20-18(17-10-6-3-7-11-17)14-16-8-4-2-5-9-16;2*1-2/h2-11,18H,12-14H2,1H3;2*1-2H3/b20-19-;;.
What are the key properties of 1-[2-(1,2-diphenylethylimino)-1,3-oxazolidin-3-yl]ethanone;ethane?
1-[2-(1,2-diphenylethylimino)-1,3-oxazolidin-3-yl]ethanone;ethane has a molecular weight of 368.52 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2-diphenylethylimino)-1,3-oxazolidin-3-yl]ethanone;ethane is sourced from PubChem (CID 90702273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).