tert-butyl 2-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,3-oxazolidine-3-carboxylate

C14H18F3NO4 — CID 158790749

IUPACtert-butyl 2-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC1Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C14H18F3NO4/c1-13(2,3)22-12(19)18-6-7-20-11(18)8-9-4-5-10(21-9)14(15,16)17/h4-5,11H,6-8H2,1-3H3
InChIKeyISFZNLLJGQIKDR-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.43
Rot. Bonds2

About tert-butyl 2-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,3-oxazolidine-3-carboxylate

tert-butyl 2-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 158790749) has the molecular formula C14H18F3NO4 and a molecular weight of 321.30 g/mol. Its IUPAC name is tert-butyl 2-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,3-oxazolidine-3-carboxylate
PubChem CID158790749
Molecular FormulaC14H18F3NO4
Molecular Weight321.30 g/mol
Exact Mass321.12
IUPAC Nametert-butyl 2-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC1Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C14H18F3NO4/c1-13(2,3)22-12(19)18-6-7-20-11(18)8-9-4-5-10(21-9)14(15,16)17/h4-5,11H,6-8H2,1-3H3
InChIKeyISFZNLLJGQIKDR-UHFFFAOYSA-N
XLogP3.43
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 2-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,3-oxazolidine-3-carboxylate (CID 158790749) is tert-butyl 2-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 2-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 2-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1CCOC1Cc1ccc(C(F)(F)F)o1.
What is the InChIKey of tert-butyl 2-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is ISFZNLLJGQIKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO4/c1-13(2,3)22-12(19)18-6-7-20-11(18)8-9-4-5-10(21-9)14(15,16)17/h4-5,11H,6-8H2,1-3H3.
What are the key properties of tert-butyl 2-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl 2-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 321.30 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 158790749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).