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

C12H13NO2 — CID 164675976

IUPAC5-methylidene-3-(1-phenylethyl)-1,3-oxazolidin-2-one
SMILESC=C1CN(C(C)c2ccccc2)C(=O)O1
InChIInChI=1S/C12H13NO2/c1-9-8-13(12(14)15-9)10(2)11-6-4-3-5-7-11/h3-7,10H,1,8H2,2H3
InChIKeyXLLCUKMGZXJGHJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.71
Rot. Bonds2

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

5-methylidene-3-(1-phenylethyl)-1,3-oxazolidin-2-one (PubChem CID 164675976) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-methylidene-3-(1-phenylethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methylidene-3-(1-phenylethyl)-1,3-oxazolidin-2-one
PubChem CID164675976
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name5-methylidene-3-(1-phenylethyl)-1,3-oxazolidin-2-one
SMILESC=C1CN(C(C)c2ccccc2)C(=O)O1
InChIInChI=1S/C12H13NO2/c1-9-8-13(12(14)15-9)10(2)11-6-4-3-5-7-11/h3-7,10H,1,8H2,2H3
InChIKeyXLLCUKMGZXJGHJ-UHFFFAOYSA-N
XLogP2.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Encyprate
CID 17298
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
Tert-butyl N-benzyl-N-(2-hydroxyethyl)carbamate
CID 10753247
(R)-3-(biphenyl-4-ylmethyl)-5-methyloxazolidin-2-one
CID 25173776
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
Oxazolidin-2-one, 4-hydroxy-4,5,5-trimethyl-3-(2-phenylethyl)-
CID 568720
5,5-Dimethyl-3-(phenylmethyl)-2,4-oxazolidinedione
CID 232547
(4S)-3-[(2E)-But-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 5469245

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-3-(1-phenylethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-methylidene-3-(1-phenylethyl)-1,3-oxazolidin-2-one (CID 164675976) is 5-methylidene-3-(1-phenylethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methylidene-3-(1-phenylethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methylidene-3-(1-phenylethyl)-1,3-oxazolidin-2-one is C=C1CN(C(C)c2ccccc2)C(=O)O1.
What is the InChIKey of 5-methylidene-3-(1-phenylethyl)-1,3-oxazolidin-2-one?
The InChIKey is XLLCUKMGZXJGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-9-8-13(12(14)15-9)10(2)11-6-4-3-5-7-11/h3-7,10H,1,8H2,2H3.
What are the key properties of 5-methylidene-3-(1-phenylethyl)-1,3-oxazolidin-2-one?
5-methylidene-3-(1-phenylethyl)-1,3-oxazolidin-2-one has a molecular weight of 203.24 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3-(1-phenylethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 164675976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).