5-methylidene-3-(2-phenylethyl)-1,3-oxazolidin-2-one

C12H13NO2 — CID 164676290

IUPAC5-methylidene-3-(2-phenylethyl)-1,3-oxazolidin-2-one
SMILESC=C1CN(CCc2ccccc2)C(=O)O1
InChIInChI=1S/C12H13NO2/c1-10-9-13(12(14)15-10)8-7-11-5-3-2-4-6-11/h2-6H,1,7-9H2
InChIKeyWERCFGKKJXJTQM-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.19
Rot. Bonds3

About 5-methylidene-3-(2-phenylethyl)-1,3-oxazolidin-2-one

5-methylidene-3-(2-phenylethyl)-1,3-oxazolidin-2-one (PubChem CID 164676290) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-methylidene-3-(2-phenylethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methylidene-3-(2-phenylethyl)-1,3-oxazolidin-2-one
PubChem CID164676290
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name5-methylidene-3-(2-phenylethyl)-1,3-oxazolidin-2-one
SMILESC=C1CN(CCc2ccccc2)C(=O)O1
InChIInChI=1S/C12H13NO2/c1-10-9-13(12(14)15-10)8-7-11-5-3-2-4-6-11/h2-6H,1,7-9H2
InChIKeyWERCFGKKJXJTQM-UHFFFAOYSA-N
XLogP2.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Fenspiride
CID 3344
Fenspiride Hydrochloride
CID 68626
4-Hydroxy-4,5,5-trimethyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 3438279
2,4-Oxazolidinedione, 3-benzyl-
CID 230350
Fenpipalone
CID 30822
Oxazolidin-2-one, 4-hydroxy-4,5,5-trimethyl-3-(2-phenylethyl)-
CID 568720
5,5-Dimethyl-3-(phenylmethyl)-2,4-oxazolidinedione
CID 232547
5-Benzyl-3-methyl-1,3-oxazolidin-2-one
CID 3046888
3-Benzyl-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
CID 689214
2-Oxazolidinone, 3-benzyl-5-(2-propynyloxymethyl)-
CID 211831
(R)-N-Boc-2-phenylpyrrolidine
CID 24859471
(e)-2-(3-benzyl-4,4-dimethyl-2-oxooxazolidin-5-ylidene)-N,N-diethylacetamide
CID 132548302

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-3-(2-phenylethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-methylidene-3-(2-phenylethyl)-1,3-oxazolidin-2-one (CID 164676290) is 5-methylidene-3-(2-phenylethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methylidene-3-(2-phenylethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methylidene-3-(2-phenylethyl)-1,3-oxazolidin-2-one is C=C1CN(CCc2ccccc2)C(=O)O1.
What is the InChIKey of 5-methylidene-3-(2-phenylethyl)-1,3-oxazolidin-2-one?
The InChIKey is WERCFGKKJXJTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-10-9-13(12(14)15-10)8-7-11-5-3-2-4-6-11/h2-6H,1,7-9H2.
What are the key properties of 5-methylidene-3-(2-phenylethyl)-1,3-oxazolidin-2-one?
5-methylidene-3-(2-phenylethyl)-1,3-oxazolidin-2-one has a molecular weight of 203.24 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3-(2-phenylethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 164676290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).