[3-(trifluoromethoxy)cyclobutyl]methyl N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate

C19H21F6N3O5 — CID 137491521

IUPAC[3-(trifluoromethoxy)cyclobutyl]methyl N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate
SMILESO=C(NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2)OCC1CC(OC(F)(F)F)C1
InChIInChI=1S/C19H21F6N3O5/c20-18(21,22)32-11-1-9(2-11)5-30-15(29)26-17-6-16(7-17,8-17)14-28-27-13(31-14)10-3-12(4-10)33-19(23,24)25/h9-12H,1-8H2,(H,26,29)
InChIKeySHZQQLAFOOJMFX-UHFFFAOYSA-N
MW485.38 g/mol
LogP4.07
Rot. Bonds7

About [3-(trifluoromethoxy)cyclobutyl]methyl N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate

[3-(trifluoromethoxy)cyclobutyl]methyl N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate (PubChem CID 137491521) has the molecular formula C19H21F6N3O5 and a molecular weight of 485.38 g/mol. Its IUPAC name is [3-(trifluoromethoxy)cyclobutyl]methyl N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate.

Molecular Properties

Compound Name[3-(trifluoromethoxy)cyclobutyl]methyl N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate
PubChem CID137491521
Molecular FormulaC19H21F6N3O5
Molecular Weight485.38 g/mol
Exact Mass485.14
IUPAC Name[3-(trifluoromethoxy)cyclobutyl]methyl N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate
SMILESO=C(NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2)OCC1CC(OC(F)(F)F)C1
InChIInChI=1S/C19H21F6N3O5/c20-18(21,22)32-11-1-9(2-11)5-30-15(29)26-17-6-16(7-17,8-17)14-28-27-13(31-14)10-3-12(4-10)33-19(23,24)25/h9-12H,1-8H2,(H,26,29)
InChIKeySHZQQLAFOOJMFX-UHFFFAOYSA-N
XLogP4.07
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethoxy)cyclobutyl]methyl N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate?
The IUPAC name of [3-(trifluoromethoxy)cyclobutyl]methyl N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate (CID 137491521) is [3-(trifluoromethoxy)cyclobutyl]methyl N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate.
What is the SMILES notation for [3-(trifluoromethoxy)cyclobutyl]methyl N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate?
The canonical SMILES for [3-(trifluoromethoxy)cyclobutyl]methyl N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate is O=C(NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2)OCC1CC(OC(F)(F)F)C1.
What is the InChIKey of [3-(trifluoromethoxy)cyclobutyl]methyl N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate?
The InChIKey is SHZQQLAFOOJMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F6N3O5/c20-18(21,22)32-11-1-9(2-11)5-30-15(29)26-17-6-16(7-17,8-17)14-28-27-13(31-14)10-3-12(4-10)33-19(23,24)25/h9-12H,1-8H2,(H,26,29).
What are the key properties of [3-(trifluoromethoxy)cyclobutyl]methyl N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate?
[3-(trifluoromethoxy)cyclobutyl]methyl N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate has a molecular weight of 485.38 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethoxy)cyclobutyl]methyl N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate is sourced from PubChem (CID 137491521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).