ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one

C14H21NO2 — CID 90810932

IUPACethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one
SMILESCC.CC1CN(CCc2ccccc2)C(=O)O1
InChIInChI=1S/C12H15NO2.C2H6/c1-10-9-13(12(14)15-10)8-7-11-5-3-2-4-6-11;1-2/h2-6,10H,7-9H2,1H3;1-2H3
InChIKeyQVBZUMTWWPWPQU-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.10
Rot. Bonds3

About ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one

ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one (PubChem CID 90810932) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Nameethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one
PubChem CID90810932
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nameethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one
SMILESCC.CC1CN(CCc2ccccc2)C(=O)O1
InChIInChI=1S/C12H15NO2.C2H6/c1-10-9-13(12(14)15-10)8-7-11-5-3-2-4-6-11;1-2/h2-6,10H,7-9H2,1H3;1-2H3
InChIKeyQVBZUMTWWPWPQU-UHFFFAOYSA-N
XLogP3.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazine
CID 117007387
3-benzyl-5-methyl-1,3-oxazolidin-2-one;bicyclo[2.1.0]pent-1(5)-ene;butane;ethane
CID 144657002
5-methyl-3-[[4-(2-phenoxyethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
CID 25174081
5-methyl-3-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 126971671
2-[2-oxo-3-(2-phenylethyl)-1,3-oxazinan-5-yl]acetic acid
CID 117002155
2-methyl-5-(2-phenylethyl)-1,2,5-oxadiazinane-3,6-dione
CID 86233009
(5R)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 44591745
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800
3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
1-(2-phenylethyl)-3-propan-2-ylidenepyrrolidin-2-one
CID 102467762
6-(hydroxymethyl)-4-(2-phenylethyl)morpholin-3-one
CID 117008961
(2S,5R)-2,5-dimethyl-1-(2-phenylethyl)piperidin-4-one
CID 7374779

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one?
The IUPAC name of ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one (CID 90810932) is ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one is CC.CC1CN(CCc2ccccc2)C(=O)O1.
What is the InChIKey of ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one?
The InChIKey is QVBZUMTWWPWPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.C2H6/c1-10-9-13(12(14)15-10)8-7-11-5-3-2-4-6-11;1-2/h2-6,10H,7-9H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one?
ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one has a molecular weight of 235.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3-(2-phenylethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90810932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).