tert-butyl N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate

C18H25F3N2O5 — CID 155634477

IUPACtert-butyl N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate
SMILESCC(C)(C)OC(=O)NC12CC(N3CC(C4CC(OC(F)(F)F)C4)OC3=O)(C1)C2
InChIInChI=1S/C18H25F3N2O5/c1-15(2,3)28-13(24)22-16-7-17(8-16,9-16)23-6-12(26-14(23)25)10-4-11(5-10)27-18(19,20)21/h10-12H,4-9H2,1-3H3,(H,22,24)
InChIKeyOZRSRFYTTAYTQW-UHFFFAOYSA-N
MW406.40 g/mol
LogP3.32
Rot. Bonds4

About tert-butyl N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate

tert-butyl N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate (PubChem CID 155634477) has the molecular formula C18H25F3N2O5 and a molecular weight of 406.40 g/mol. Its IUPAC name is tert-butyl N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate
PubChem CID155634477
Molecular FormulaC18H25F3N2O5
Molecular Weight406.40 g/mol
Exact Mass406.17
IUPAC Nametert-butyl N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate
SMILESCC(C)(C)OC(=O)NC12CC(N3CC(C4CC(OC(F)(F)F)C4)OC3=O)(C1)C2
InChIInChI=1S/C18H25F3N2O5/c1-15(2,3)28-13(24)22-16-7-17(8-16,9-16)23-6-12(26-14(23)25)10-4-11(5-10)27-18(19,20)21/h10-12H,4-9H2,1-3H3,(H,22,24)
InChIKeyOZRSRFYTTAYTQW-UHFFFAOYSA-N
XLogP3.32
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate (CID 155634477) is tert-butyl N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate is CC(C)(C)OC(=O)NC12CC(N3CC(C4CC(OC(F)(F)F)C4)OC3=O)(C1)C2.
What is the InChIKey of tert-butyl N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate?
The InChIKey is OZRSRFYTTAYTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O5/c1-15(2,3)28-13(24)22-16-7-17(8-16,9-16)23-6-12(26-14(23)25)10-4-11(5-10)27-18(19,20)21/h10-12H,4-9H2,1-3H3,(H,22,24).
What are the key properties of tert-butyl N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate?
tert-butyl N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate has a molecular weight of 406.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamate is sourced from PubChem (CID 155634477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).