3-(1-phenylethyl)-1,3-oxazolidine-2,4-dione

C11H11NO3 — CID 3029673

IUPAC3-(1-phenylethyl)-1,3-oxazolidine-2,4-dione
SMILESCC(c1ccccc1)N1C(=O)COC1=O
InChIInChI=1S/C11H11NO3/c1-8(9-5-3-2-4-6-9)12-10(13)7-15-11(12)14/h2-6,8H,7H2,1H3
InChIKeyOBWCRFQZWIKNJM-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.73
Rot. Bonds2

About 3-(1-phenylethyl)-1,3-oxazolidine-2,4-dione

3-(1-phenylethyl)-1,3-oxazolidine-2,4-dione (PubChem CID 3029673) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-(1-phenylethyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-(1-phenylethyl)-1,3-oxazolidine-2,4-dione
PubChem CID3029673
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3-(1-phenylethyl)-1,3-oxazolidine-2,4-dione
SMILESCC(c1ccccc1)N1C(=O)COC1=O
InChIInChI=1S/C11H11NO3/c1-8(9-5-3-2-4-6-9)12-10(13)7-15-11(12)14/h2-6,8H,7H2,1H3
InChIKeyOBWCRFQZWIKNJM-UHFFFAOYSA-N
XLogP1.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
3,7-bis[(1R)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone
CID 134961753
3-[(1R)-1-phenylethyl]-2-sulfanylideneimidazolidin-4-one
CID 7026092
(5Z)-5-ethylidene-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 15373975
3-[(2S)-1-aminopropan-2-yl]-1,3-oxazolidine-2,4-dione
CID 99737584
(1S,2R,6R,7R,8R,9R)-8,9-dibromo-4-[(1S)-1-phenylethyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 100807735
(1S,2S,6R,7R,8S,10R)-4-[(1S)-1-phenylethyl]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 21311355
3-phenyl-1,3-oxazolidine-2,4-dione
CID 10888463
(3R)-3-morpholin-4-yl-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione
CID 7377881
(4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 11830202
4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 68997353
(3S)-3-morpholin-4-ium-4-yl-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione
CID 7377876

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-(1-phenylethyl)-1,3-oxazolidine-2,4-dione (CID 3029673) is 3-(1-phenylethyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-(1-phenylethyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-(1-phenylethyl)-1,3-oxazolidine-2,4-dione is CC(c1ccccc1)N1C(=O)COC1=O.
What is the InChIKey of 3-(1-phenylethyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is OBWCRFQZWIKNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-8(9-5-3-2-4-6-9)12-10(13)7-15-11(12)14/h2-6,8H,7H2,1H3.
What are the key properties of 3-(1-phenylethyl)-1,3-oxazolidine-2,4-dione?
3-(1-phenylethyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 205.21 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 3029673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).