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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Related Compounds

tert-butyl 2-(aminomethyl)-1,3-oxazolidine-3-carboxylate
CID 141212446
tert-butyl 2-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-1-carboxylate
CID 175986606
tert-butyl 2-phenoxy-1,3-oxazolidine-3-carboxylate
CID 90383959
tert-butyl (2S)-2-(hydroxymethyl)-3-methylmorpholine-4-carboxylate
CID 175950110
4-O-tert-butyl 3-O-methyl 2-methylmorpholine-3,4-dicarboxylate
CID 155291012
tert-butyl (4aR,7aS)-6-oxo-2,3,4a,5,7,7a-hexahydrocyclopenta[b][1,4]oxazine-4-carboxylate
CID 162341137
(1R,6S,7S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-5-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 124931795
tert-butyl (2S)-2-[[4-(trifluoromethyl)anilino]methyl]piperidine-1-carboxylate
CID 94001655
tert-butyl 3-(2-hydroxypropan-2-yl)morpholine-4-carboxylate
CID 155289654
tert-butyl (4aS,7S,7aS)-7-hydroxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxylate
CID 71305956
tert-butyl 2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 102106848
tert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate
CID 135183986

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).