5-benzhydrylidene-3-propan-2-yl-1,3-oxazolidin-2-one

C19H19NO2 — CID 134847017

IUPAC5-benzhydrylidene-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1CC(=C(c2ccccc2)c2ccccc2)OC1=O
InChIInChI=1S/C19H19NO2/c1-14(2)20-13-17(22-19(20)21)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3
InChIKeyNJEAQWYCLUQXLS-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.31
Rot. Bonds3

About 5-benzhydrylidene-3-propan-2-yl-1,3-oxazolidin-2-one

5-benzhydrylidene-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 134847017) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-benzhydrylidene-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-benzhydrylidene-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID134847017
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name5-benzhydrylidene-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1CC(=C(c2ccccc2)c2ccccc2)OC1=O
InChIInChI=1S/C19H19NO2/c1-14(2)20-13-17(22-19(20)21)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3
InChIKeyNJEAQWYCLUQXLS-UHFFFAOYSA-N
XLogP4.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Fenpipalone
CID 30822
tert-butyl (2S)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate
CID 11242774
5-Methylidene-3-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 164676290
2-(Diphenylmethylene)-3-ethyl-1,3-oxazolidine-4,5-dione
CID 257042
tert-butyl (2S)-2-[(1R)-1,2-difluoro-2,2-diphenylethyl]pyrrolidine-1-carboxylate
CID 134849352
Tert-butyl 2-(1-fluoro-2,2-diphenylethenyl)pyrrolidine-1-carboxylate
CID 134854188
tert-butyl (2S)-2-[(1S)-1,2-difluoro-2,2-diphenylethyl]pyrrolidine-1-carboxylate
CID 135029423
tert-butyl 2-[(Z)-1-fluoro-2-(4-phenylphenyl)prop-1-enyl]pyrrolidine-1-carboxylate
CID 177852532
tert-butyl N-(2-fluoro-3,3-diphenylprop-2-enyl)-N-methylcarbamate
CID 177852536
5-Methylidene-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 164675976
(2RS)-2-benzyl-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 3265841
tert-butyl (2S)-2-benzylpyrrolidine-1-carboxylate
CID 40575588

Frequently Asked Questions

What is the IUPAC name of 5-benzhydrylidene-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 5-benzhydrylidene-3-propan-2-yl-1,3-oxazolidin-2-one (CID 134847017) is 5-benzhydrylidene-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-benzhydrylidene-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-benzhydrylidene-3-propan-2-yl-1,3-oxazolidin-2-one is CC(C)N1CC(=C(c2ccccc2)c2ccccc2)OC1=O.
What is the InChIKey of 5-benzhydrylidene-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is NJEAQWYCLUQXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-14(2)20-13-17(22-19(20)21)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3.
What are the key properties of 5-benzhydrylidene-3-propan-2-yl-1,3-oxazolidin-2-one?
5-benzhydrylidene-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 293.37 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydrylidene-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134847017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).