(4R)-4-benzyl-3-methyl-2-methylidene-1,3-oxazolidin-5-one

C12H13NO2 — CID 158048514

IUPAC(4R)-4-benzyl-3-methyl-2-methylidene-1,3-oxazolidin-5-one
SMILESC=C1OC(=O)[C@@H](Cc2ccccc2)N1C
InChIInChI=1S/C12H13NO2/c1-9-13(2)11(12(14)15-9)8-10-6-4-3-5-7-10/h3-7,11H,1,8H2,2H3/t11-/m1/s1
InChIKeyWLTGBVORXSMYBA-LLVKDONJSA-N
MW203.24 g/mol
LogP1.56
Rot. Bonds2

About (4R)-4-benzyl-3-methyl-2-methylidene-1,3-oxazolidin-5-one

(4R)-4-benzyl-3-methyl-2-methylidene-1,3-oxazolidin-5-one (PubChem CID 158048514) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (4R)-4-benzyl-3-methyl-2-methylidene-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-methyl-2-methylidene-1,3-oxazolidin-5-one
PubChem CID158048514
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(4R)-4-benzyl-3-methyl-2-methylidene-1,3-oxazolidin-5-one
SMILESC=C1OC(=O)[C@@H](Cc2ccccc2)N1C
InChIInChI=1S/C12H13NO2/c1-9-13(2)11(12(14)15-9)8-10-6-4-3-5-7-10/h3-7,11H,1,8H2,2H3/t11-/m1/s1
InChIKeyWLTGBVORXSMYBA-LLVKDONJSA-N
XLogP1.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-4-benzyl-3-methyl-2-methylidene-1,3-oxazolidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-3,4-dibenzyl-1,3-oxazolidine-2,5-dione
CID 170762067
ethane;(3S,6R,9S,15S,18R)-3,9,15-tribenzyl-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
CID 131676364
(5S)-5-benzyl-1-methylimidazolidine-2,4-dione
CID 165148051
5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione
CID 12790757
6-benzyl-1,4-dimethylpiperazine-2,3,5-trione
CID 13416223
3-benzyl-4-bromo-3H-1,4-benzoxazin-2-one
CID 175073053
(3S,6R,9S,12R,15S,18R)-3,9-dibenzyl-4,10,16-trimethyl-6,12,15,18-tetra(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
CID 54768788
3,9,15-tribenzyl-6-ethyl-4,10,16-trimethyl-12,18-di(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
CID 74076090
5-benzyl-1-methyl-3-(2-methyl-1,3-thiazol-5-yl)imidazolidine-2,4-dione
CID 154784664
(3S,8aS)-3-benzyl-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 3082463
(3S,6R,9S,12R,15R,18R)-3,9,15-tribenzyl-4,10,16-trimethyl-6-(2-methylpropyl)-12,18-di(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
CID 6915705
6,18-dibenzyl-4,10,12,16,22,24-hexamethyl-5,11,17,23-tetramethylidene-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,8,14,20-tetrone
CID 22952812

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-methyl-2-methylidene-1,3-oxazolidin-5-one?
The IUPAC name of (4R)-4-benzyl-3-methyl-2-methylidene-1,3-oxazolidin-5-one (CID 158048514) is (4R)-4-benzyl-3-methyl-2-methylidene-1,3-oxazolidin-5-one.
What is the SMILES notation for (4R)-4-benzyl-3-methyl-2-methylidene-1,3-oxazolidin-5-one?
The canonical SMILES for (4R)-4-benzyl-3-methyl-2-methylidene-1,3-oxazolidin-5-one is C=C1OC(=O)[C@@H](Cc2ccccc2)N1C.
What is the InChIKey of (4R)-4-benzyl-3-methyl-2-methylidene-1,3-oxazolidin-5-one?
The InChIKey is WLTGBVORXSMYBA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13NO2/c1-9-13(2)11(12(14)15-9)8-10-6-4-3-5-7-10/h3-7,11H,1,8H2,2H3/t11-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-methyl-2-methylidene-1,3-oxazolidin-5-one?
(4R)-4-benzyl-3-methyl-2-methylidene-1,3-oxazolidin-5-one has a molecular weight of 203.24 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-methyl-2-methylidene-1,3-oxazolidin-5-one is sourced from PubChem (CID 158048514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).