3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one

C13H11F6NO2 — CID 141178783

IUPAC3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC1COC(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H11F6NO2/c1-7-6-22-11(21)20(7)5-8-2-9(12(14,15)16)4-10(3-8)13(17,18)19/h2-4,7H,5-6H2,1H3
InChIKeyNAYHXGOKHTXVOI-UHFFFAOYSA-N
MW327.22 g/mol
LogP4.06
Rot. Bonds2

About 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one

3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 141178783) has the molecular formula C13H11F6NO2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID141178783
Molecular FormulaC13H11F6NO2
Molecular Weight327.22 g/mol
Exact Mass327.07
IUPAC Name3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC1COC(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H11F6NO2/c1-7-6-22-11(21)20(7)5-8-2-9(12(14,15)16)4-10(3-8)13(17,18)19/h2-4,7H,5-6H2,1H3
InChIKeyNAYHXGOKHTXVOI-UHFFFAOYSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one;hydrochloride
CID 142664980
(2R,6S)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperazine
CID 150641792
3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(3,4-dichlorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 142664984
(2R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
CID 95656913
4-methyl-3-[[2-(2-methylpropylamino)-5-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
CID 151171109
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 87929151
1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-3-fluoroazetidine
CID 164558920
4-methyl-3-pentyl-1,3-oxazolidin-2-one
CID 11378760
7-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-2,5-dione
CID 64881828
5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3,8-dimethyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
CID 18387247
1-[(2S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079699
(3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118073139

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one (CID 141178783) is 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one is CC1COC(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is NAYHXGOKHTXVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F6NO2/c1-7-6-22-11(21)20(7)5-8-2-9(12(14,15)16)4-10(3-8)13(17,18)19/h2-4,7H,5-6H2,1H3.
What are the key properties of 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one?
3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 327.22 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 141178783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).