(5Z)-3-benzyl-5-benzylidene-2-(trifluoromethyl)-1,3-oxazolidine

C18H16F3NO — CID 162411830

IUPAC(5Z)-3-benzyl-5-benzylidene-2-(trifluoromethyl)-1,3-oxazolidine
SMILESFC(F)(F)C1O/C(=C\c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C18H16F3NO/c19-18(20,21)17-22(12-15-9-5-2-6-10-15)13-16(23-17)11-14-7-3-1-4-8-14/h1-11,17H,12-13H2/b16-11-
InChIKeyHYQAZDPVZOLGOQ-WJDWOHSUSA-N
MW319.33 g/mol
LogP4.45
Rot. Bonds3

About (5Z)-3-benzyl-5-benzylidene-2-(trifluoromethyl)-1,3-oxazolidine

(5Z)-3-benzyl-5-benzylidene-2-(trifluoromethyl)-1,3-oxazolidine (PubChem CID 162411830) has the molecular formula C18H16F3NO and a molecular weight of 319.33 g/mol. Its IUPAC name is (5Z)-3-benzyl-5-benzylidene-2-(trifluoromethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(5Z)-3-benzyl-5-benzylidene-2-(trifluoromethyl)-1,3-oxazolidine
PubChem CID162411830
Molecular FormulaC18H16F3NO
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name(5Z)-3-benzyl-5-benzylidene-2-(trifluoromethyl)-1,3-oxazolidine
SMILESFC(F)(F)C1O/C(=C\c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C18H16F3NO/c19-18(20,21)17-22(12-15-9-5-2-6-10-15)13-16(23-17)11-14-7-3-1-4-8-14/h1-11,17H,12-13H2/b16-11-
InChIKeyHYQAZDPVZOLGOQ-WJDWOHSUSA-N
XLogP4.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Benzyloxazolidine
CID 319258
2-[Benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol
CID 782694
4-[[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methyl]morpholine
CID 118714433
(5R)-5-[[benzyl-[(3,4-difluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 24752749
(5R)-5-[[benzyl-[(2,4-difluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 24752750
4-[Difluoro(phenyl)methyl]morpholine
CID 57486611
4,10-Dibenzyl-1,7-dioxa-4,10-diazacyclododecane
CID 988725
4-(2,4-Difluorobenzyl)-2,6-dimethylmorpholine
CID 6456202
2,6-Dimethyl-4-[4-(trifluoromethyl)benzyl]morpholine
CID 45927286
4-(3,4-Difluorobenzyl)-2,6-dimethylmorpholine
CID 45927288
N-(o-fluorobenzyl)-1,3-oxazolidine
CID 86236808
4-[(E,1R)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine
CID 101499208

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-benzyl-5-benzylidene-2-(trifluoromethyl)-1,3-oxazolidine?
The IUPAC name of (5Z)-3-benzyl-5-benzylidene-2-(trifluoromethyl)-1,3-oxazolidine (CID 162411830) is (5Z)-3-benzyl-5-benzylidene-2-(trifluoromethyl)-1,3-oxazolidine.
What is the SMILES notation for (5Z)-3-benzyl-5-benzylidene-2-(trifluoromethyl)-1,3-oxazolidine?
The canonical SMILES for (5Z)-3-benzyl-5-benzylidene-2-(trifluoromethyl)-1,3-oxazolidine is FC(F)(F)C1O/C(=C\c2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of (5Z)-3-benzyl-5-benzylidene-2-(trifluoromethyl)-1,3-oxazolidine?
The InChIKey is HYQAZDPVZOLGOQ-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H16F3NO/c19-18(20,21)17-22(12-15-9-5-2-6-10-15)13-16(23-17)11-14-7-3-1-4-8-14/h1-11,17H,12-13H2/b16-11-.
What are the key properties of (5Z)-3-benzyl-5-benzylidene-2-(trifluoromethyl)-1,3-oxazolidine?
(5Z)-3-benzyl-5-benzylidene-2-(trifluoromethyl)-1,3-oxazolidine has a molecular weight of 319.33 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-benzyl-5-benzylidene-2-(trifluoromethyl)-1,3-oxazolidine is sourced from PubChem (CID 162411830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).