3-benzyl-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidin-2-one

C19H16F3NO2 — CID 102222635

IUPAC3-benzyl-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidin-2-one
SMILESC=C(c1ccc(C(F)(F)F)cc1)C1CN(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C19H16F3NO2/c1-13(15-7-9-16(10-8-15)19(20,21)22)17-12-23(18(24)25-17)11-14-5-3-2-4-6-14/h2-10,17H,1,11-12H2
InChIKeyPFLOYSIKCFLPIO-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.74
Rot. Bonds4

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

3-benzyl-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidin-2-one (PubChem CID 102222635) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is 3-benzyl-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-benzyl-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidin-2-one
PubChem CID102222635
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name3-benzyl-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidin-2-one
SMILESC=C(c1ccc(C(F)(F)F)cc1)C1CN(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C19H16F3NO2/c1-13(15-7-9-16(10-8-15)19(20,21)22)17-12-23(18(24)25-17)11-14-5-3-2-4-6-14/h2-10,17H,1,11-12H2
InChIKeyPFLOYSIKCFLPIO-UHFFFAOYSA-N
XLogP4.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-benzyl-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]-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

(R)-3-((4''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 25173697
(R)-3-(biphenyl-4-ylmethyl)-5-methyloxazolidin-2-one
CID 25173776
(R)-3-((2''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 44591713
(R)-3-((3''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 44591714
(5R)-3-[[4-(2,4-difluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 44591773
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
US9611232, Example 32
CID 90134544
(5R)-3-[[4-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 44591812
(4S,5R)-3-ethenyl-4,5-diphenyl-1,3-oxazolidin-2-one
CID 10999952
(S,Z)-3-(5-(4-fluorophenyl)pent-4-enoyl)-4-phenyloxazolidin-2-one
CID 49840895

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-benzyl-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidin-2-one (CID 102222635) is 3-benzyl-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-benzyl-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-benzyl-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidin-2-one is C=C(c1ccc(C(F)(F)F)cc1)C1CN(Cc2ccccc2)C(=O)O1.
What is the InChIKey of 3-benzyl-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidin-2-one?
The InChIKey is PFLOYSIKCFLPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO2/c1-13(15-7-9-16(10-8-15)19(20,21)22)17-12-23(18(24)25-17)11-14-5-3-2-4-6-14/h2-10,17H,1,11-12H2.
What are the key properties of 3-benzyl-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidin-2-one?
3-benzyl-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidin-2-one has a molecular weight of 347.34 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102222635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).