(2R,4S,5R)-4-methyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidine

C17H16F3NO — CID 10709855

IUPAC(2R,4S,5R)-4-methyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidine
SMILESC[C@@H]1N[C@@H](c2ccc(C(F)(F)F)cc2)O[C@@H]1c1ccccc1
InChIInChI=1S/C17H16F3NO/c1-11-15(12-5-3-2-4-6-12)22-16(21-11)13-7-9-14(10-8-13)17(18,19)20/h2-11,15-16,21H,1H3/t11-,15-,16+/m0/s1
InChIKeyZEOBFRLROLOHDL-KNXALSJPSA-N
MW307.32 g/mol
LogP4.45
Rot. Bonds2

About (2R,4S,5R)-4-methyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidine

(2R,4S,5R)-4-methyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidine (PubChem CID 10709855) has the molecular formula C17H16F3NO and a molecular weight of 307.32 g/mol. Its IUPAC name is (2R,4S,5R)-4-methyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,4S,5R)-4-methyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidine
PubChem CID10709855
Molecular FormulaC17H16F3NO
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name(2R,4S,5R)-4-methyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidine
SMILESC[C@@H]1N[C@@H](c2ccc(C(F)(F)F)cc2)O[C@@H]1c1ccccc1
InChIInChI=1S/C17H16F3NO/c1-11-15(12-5-3-2-4-6-12)22-16(21-11)13-7-9-14(10-8-13)17(18,19)20/h2-11,15-16,21H,1H3/t11-,15-,16+/m0/s1
InChIKeyZEOBFRLROLOHDL-KNXALSJPSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-4-methyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidine?
The IUPAC name of (2R,4S,5R)-4-methyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidine (CID 10709855) is (2R,4S,5R)-4-methyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidine.
What is the SMILES notation for (2R,4S,5R)-4-methyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidine?
The canonical SMILES for (2R,4S,5R)-4-methyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidine is C[C@@H]1N[C@@H](c2ccc(C(F)(F)F)cc2)O[C@@H]1c1ccccc1.
What is the InChIKey of (2R,4S,5R)-4-methyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidine?
The InChIKey is ZEOBFRLROLOHDL-KNXALSJPSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-11-15(12-5-3-2-4-6-12)22-16(21-11)13-7-9-14(10-8-13)17(18,19)20/h2-11,15-16,21H,1H3/t11-,15-,16+/m0/s1.
What are the key properties of (2R,4S,5R)-4-methyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidine?
(2R,4S,5R)-4-methyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidine has a molecular weight of 307.32 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-4-methyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidine is sourced from PubChem (CID 10709855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).