tert-butyl (4R)-2,2-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidine-3-carboxylate

C19H24F3NO3 — CID 91381155

IUPACtert-butyl (4R)-2,2-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](C=Cc2ccc(C(F)(F)F)cc2)COC1(C)C
InChIInChI=1S/C19H24F3NO3/c1-17(2,3)26-16(24)23-15(12-25-18(23,4)5)11-8-13-6-9-14(10-7-13)19(20,21)22/h6-11,15H,12H2,1-5H3/t15-/m1/s1
InChIKeyCGVQTQZIKRDFPA-OAHLLOKOSA-N
MW371.40 g/mol
LogP5.09
Rot. Bonds2

About tert-butyl (4R)-2,2-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-2,2-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 91381155) has the molecular formula C19H24F3NO3 and a molecular weight of 371.40 g/mol. Its IUPAC name is tert-butyl (4R)-2,2-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-2,2-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidine-3-carboxylate
PubChem CID91381155
Molecular FormulaC19H24F3NO3
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC Nametert-butyl (4R)-2,2-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](C=Cc2ccc(C(F)(F)F)cc2)COC1(C)C
InChIInChI=1S/C19H24F3NO3/c1-17(2,3)26-16(24)23-15(12-25-18(23,4)5)11-8-13-6-9-14(10-7-13)19(20,21)22/h6-11,15H,12H2,1-5H3/t15-/m1/s1
InChIKeyCGVQTQZIKRDFPA-OAHLLOKOSA-N
XLogP5.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.40
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidine-3-carboxylate (CID 91381155) is tert-butyl (4R)-2,2-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-2,2-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-2,2-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H](C=Cc2ccc(C(F)(F)F)cc2)COC1(C)C.
What is the InChIKey of tert-butyl (4R)-2,2-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is CGVQTQZIKRDFPA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24F3NO3/c1-17(2,3)26-16(24)23-15(12-25-18(23,4)5)11-8-13-6-9-14(10-7-13)19(20,21)22/h6-11,15H,12H2,1-5H3/t15-/m1/s1.
What are the key properties of tert-butyl (4R)-2,2-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-2,2-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 371.40 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-2,2-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 91381155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).