2-benzyl-3-phenyl-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine

C24H19F6NO — CID 141274345

IUPAC2-benzyl-3-phenyl-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine
SMILESFC(F)(F)c1cccc(C2(C(F)(F)F)CC(c3ccccc3)N(Cc3ccccc3)O2)c1
InChIInChI=1S/C24H19F6NO/c25-23(26,27)20-13-7-12-19(14-20)22(24(28,29)30)15-21(18-10-5-2-6-11-18)31(32-22)16-17-8-3-1-4-9-17/h1-14,21H,15-16H2
InChIKeyMDSQWUAFMNJWCK-UHFFFAOYSA-N
MW451.41 g/mol
LogP7.04
Rot. Bonds4

About 2-benzyl-3-phenyl-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine

2-benzyl-3-phenyl-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine (PubChem CID 141274345) has the molecular formula C24H19F6NO and a molecular weight of 451.41 g/mol. Its IUPAC name is 2-benzyl-3-phenyl-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine.

Molecular Properties

Compound Name2-benzyl-3-phenyl-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine
PubChem CID141274345
Molecular FormulaC24H19F6NO
Molecular Weight451.41 g/mol
Exact Mass451.14
IUPAC Name2-benzyl-3-phenyl-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine
SMILESFC(F)(F)c1cccc(C2(C(F)(F)F)CC(c3ccccc3)N(Cc3ccccc3)O2)c1
InChIInChI=1S/C24H19F6NO/c25-23(26,27)20-13-7-12-19(14-20)22(24(28,29)30)15-21(18-10-5-2-6-11-18)31(32-22)16-17-8-3-1-4-9-17/h1-14,21H,15-16H2
InChIKeyMDSQWUAFMNJWCK-UHFFFAOYSA-N
XLogP7.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.41
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-phenyl-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine?
The IUPAC name of 2-benzyl-3-phenyl-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine (CID 141274345) is 2-benzyl-3-phenyl-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine.
What is the SMILES notation for 2-benzyl-3-phenyl-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine?
The canonical SMILES for 2-benzyl-3-phenyl-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine is FC(F)(F)c1cccc(C2(C(F)(F)F)CC(c3ccccc3)N(Cc3ccccc3)O2)c1.
What is the InChIKey of 2-benzyl-3-phenyl-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine?
The InChIKey is MDSQWUAFMNJWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F6NO/c25-23(26,27)20-13-7-12-19(14-20)22(24(28,29)30)15-21(18-10-5-2-6-11-18)31(32-22)16-17-8-3-1-4-9-17/h1-14,21H,15-16H2.
What are the key properties of 2-benzyl-3-phenyl-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine?
2-benzyl-3-phenyl-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine has a molecular weight of 451.41 g/mol, XLogP of 7.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-phenyl-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine is sourced from PubChem (CID 141274345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).