1-[3-[4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]phenyl]propan-2-one

C19H18F3NO2 — CID 58376919

IUPAC1-[3-[4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(C2(C(F)(F)F)NC(c3ccccc3)CO2)c1
InChIInChI=1S/C19H18F3NO2/c1-13(24)10-14-6-5-9-16(11-14)18(19(20,21)22)23-17(12-25-18)15-7-3-2-4-8-15/h2-9,11,17,23H,10,12H2,1H3
InChIKeyZUZRPZOLBGBQFK-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.89
Rot. Bonds4

About 1-[3-[4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]phenyl]propan-2-one

1-[3-[4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]phenyl]propan-2-one (PubChem CID 58376919) has the molecular formula C19H18F3NO2 and a molecular weight of 349.35 g/mol. Its IUPAC name is 1-[3-[4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-[4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]phenyl]propan-2-one
PubChem CID58376919
Molecular FormulaC19H18F3NO2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name1-[3-[4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(C2(C(F)(F)F)NC(c3ccccc3)CO2)c1
InChIInChI=1S/C19H18F3NO2/c1-13(24)10-14-6-5-9-16(11-14)18(19(20,21)22)23-17(12-25-18)15-7-3-2-4-8-15/h2-9,11,17,23H,10,12H2,1H3
InChIKeyZUZRPZOLBGBQFK-UHFFFAOYSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2318
Benfluorex hydrochloride
CID 198015
(3S,5S)-5-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-3-methyl-5-phenylpyrrolidin-2-one
CID 10127439
(S)-5-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-5-phenylpyrrolidin-2-one
CID 10194796
(5S)-5-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-3-amino-5-phenylpyrrolidin-2-one
CID 44560834
Benfluorex, (S)-
CID 6604374
(3R,5S)-5-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-3-methyl-5-phenylpyrrolidin-2-one
CID 44560754
SK&F 39728-A
CID 38114
(R)-2-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-2-phenyl-pyrrolidine
CID 10318976
(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-pyrrolidine
CID 44319329
Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, m-trifluoromethylbenzoate
CID 52731
(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[2-(dimethylamino)ethoxy]-2-phenylacetamide
CID 44413090

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]phenyl]propan-2-one?
The IUPAC name of 1-[3-[4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]phenyl]propan-2-one (CID 58376919) is 1-[3-[4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]phenyl]propan-2-one.
What is the SMILES notation for 1-[3-[4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]phenyl]propan-2-one?
The canonical SMILES for 1-[3-[4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]phenyl]propan-2-one is CC(=O)Cc1cccc(C2(C(F)(F)F)NC(c3ccccc3)CO2)c1.
What is the InChIKey of 1-[3-[4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]phenyl]propan-2-one?
The InChIKey is ZUZRPZOLBGBQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO2/c1-13(24)10-14-6-5-9-16(11-14)18(19(20,21)22)23-17(12-25-18)15-7-3-2-4-8-15/h2-9,11,17,23H,10,12H2,1H3.
What are the key properties of 1-[3-[4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]phenyl]propan-2-one?
1-[3-[4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]phenyl]propan-2-one has a molecular weight of 349.35 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]phenyl]propan-2-one is sourced from PubChem (CID 58376919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).