(2R)-3-benzyl-5-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,3-oxazolidine

C19H20F3NO — CID 162412732

IUPAC(2R)-3-benzyl-5-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,3-oxazolidine
SMILESCc1ccccc1CC1CN(Cc2ccccc2)[C@@H](C(F)(F)F)O1
InChIInChI=1S/C19H20F3NO/c1-14-7-5-6-10-16(14)11-17-13-23(18(24-17)19(20,21)22)12-15-8-3-2-4-9-15/h2-10,17-18H,11-13H2,1H3/t17?,18-/m1/s1
InChIKeyBPPBFDPCBFGXPU-QRWMCTBCSA-N
MW335.37 g/mol
LogP4.33
Rot. Bonds4

About (2R)-3-benzyl-5-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,3-oxazolidine

(2R)-3-benzyl-5-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,3-oxazolidine (PubChem CID 162412732) has the molecular formula C19H20F3NO and a molecular weight of 335.37 g/mol. Its IUPAC name is (2R)-3-benzyl-5-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2R)-3-benzyl-5-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,3-oxazolidine
PubChem CID162412732
Molecular FormulaC19H20F3NO
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name(2R)-3-benzyl-5-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,3-oxazolidine
SMILESCc1ccccc1CC1CN(Cc2ccccc2)[C@@H](C(F)(F)F)O1
InChIInChI=1S/C19H20F3NO/c1-14-7-5-6-10-16(14)11-17-13-23(18(24-17)19(20,21)22)12-15-8-3-2-4-9-15/h2-10,17-18H,11-13H2,1H3/t17?,18-/m1/s1
InChIKeyBPPBFDPCBFGXPU-QRWMCTBCSA-N
XLogP4.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-Fluorophenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737750
4-[(2-Methylphenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737772
3,4-Dimethyl-2,5-diphenyl-1,3-oxazolidine
CID 434347
4-[(2,6-Difluorophenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737725
2,5-Diphenyl-3,4-dimethyloxazolidine
CID 73585
Oxazolidine, 2-(4-fluorophenyl)-3,4-dimethyl-5-phenyl-, (2R,4S,5S)-
CID 12192955
(2S,4S,5S)-2-(4-fluorophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
CID 12192956
(2R,5R)-3-benzyl-5-methyl-5-(4-phenylmethoxydec-2-ynyl)-2-(trifluoromethyl)-1,3-oxazolidine
CID 134952005
(2R,5R)-3-benzyl-2-(trifluoromethyl)-5-[2-(trifluoromethyl)prop-2-enyl]-1,3-oxazolidine
CID 134952006
3-(4-Fluorobenzyl)-5-phenyl-1,3-oxazolidine
CID 138756946
3-(2-Fluorobenzyl)-5-phenyl-1,3-oxazolidine
CID 138756957
(5Z)-3-benzyl-5-benzylidene-2-(trifluoromethyl)-1,3-oxazolidine
CID 162411830

Frequently Asked Questions

What is the IUPAC name of (2R)-3-benzyl-5-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,3-oxazolidine?
The IUPAC name of (2R)-3-benzyl-5-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,3-oxazolidine (CID 162412732) is (2R)-3-benzyl-5-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,3-oxazolidine.
What is the SMILES notation for (2R)-3-benzyl-5-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,3-oxazolidine?
The canonical SMILES for (2R)-3-benzyl-5-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,3-oxazolidine is Cc1ccccc1CC1CN(Cc2ccccc2)[C@@H](C(F)(F)F)O1.
What is the InChIKey of (2R)-3-benzyl-5-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,3-oxazolidine?
The InChIKey is BPPBFDPCBFGXPU-QRWMCTBCSA-N. The full InChI is InChI=1S/C19H20F3NO/c1-14-7-5-6-10-16(14)11-17-13-23(18(24-17)19(20,21)22)12-15-8-3-2-4-9-15/h2-10,17-18H,11-13H2,1H3/t17?,18-/m1/s1.
What are the key properties of (2R)-3-benzyl-5-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,3-oxazolidine?
(2R)-3-benzyl-5-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,3-oxazolidine has a molecular weight of 335.37 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-benzyl-5-[(2-methylphenyl)methyl]-2-(trifluoromethyl)-1,3-oxazolidine is sourced from PubChem (CID 162412732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).