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

C12H15NO3 — CID 57077747

IUPAC5-(2-methoxy-2-phenylethyl)-1,3-oxazolidin-2-one
SMILESCOC(CC1CNC(=O)O1)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-15-11(9-5-3-2-4-6-9)7-10-8-13-12(14)16-10/h2-6,10-11H,7-8H2,1H3,(H,13,14)
InChIKeyHBGACOJRWFHUSS-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.87
Rot. Bonds4

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

5-(2-methoxy-2-phenylethyl)-1,3-oxazolidin-2-one (PubChem CID 57077747) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-(2-methoxy-2-phenylethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2-methoxy-2-phenylethyl)-1,3-oxazolidin-2-one
PubChem CID57077747
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name5-(2-methoxy-2-phenylethyl)-1,3-oxazolidin-2-one
SMILESCOC(CC1CNC(=O)O1)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-15-11(9-5-3-2-4-6-9)7-10-8-13-12(14)16-10/h2-6,10-11H,7-8H2,1H3,(H,13,14)
InChIKeyHBGACOJRWFHUSS-UHFFFAOYSA-N
XLogP1.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 66849130
CID 66849130
5-(2-chloropropyl)-1,3-oxazolidin-2-one
CID 154193468
(5S)-5-(methoxymethyl)-1,3-oxazolidin-2-one;sulfane
CID 157467427
5-[(2,6-dimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 21423647
5-(2-methoxyethyl)-1,3-oxazolidin-2-one
CID 117158748
methanesulfonic acid;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 87722700
(5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 95561590
2-methylpropane;(5R)-5-phenyl-1,3-oxazolidin-2-one
CID 158495868
(5S)-5-[[4-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 950474
5-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-oxazolidin-2-one
CID 67130959
4-O-benzyl 1-O-[(2-oxo-1,3-oxazolidin-5-yl)methyl] (E)-but-2-enedioate
CID 122482230
(4S)-N-[(2R)-2-methoxy-2-phenylethyl]-2-oxoimidazolidine-4-carboxamide
CID 97062692

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-2-phenylethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2-methoxy-2-phenylethyl)-1,3-oxazolidin-2-one (CID 57077747) is 5-(2-methoxy-2-phenylethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2-methoxy-2-phenylethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2-methoxy-2-phenylethyl)-1,3-oxazolidin-2-one is COC(CC1CNC(=O)O1)c1ccccc1.
What is the InChIKey of 5-(2-methoxy-2-phenylethyl)-1,3-oxazolidin-2-one?
The InChIKey is HBGACOJRWFHUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-15-11(9-5-3-2-4-6-9)7-10-8-13-12(14)16-10/h2-6,10-11H,7-8H2,1H3,(H,13,14).
What are the key properties of 5-(2-methoxy-2-phenylethyl)-1,3-oxazolidin-2-one?
5-(2-methoxy-2-phenylethyl)-1,3-oxazolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-2-phenylethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 57077747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).