[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid

C14H17F3N2O5 — CID 155254434

IUPAC[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
SMILESO=C(O)NC12CC(N3CC(C4CC(OC(F)(F)F)C4)OC3=O)(C1)C2
InChIInChI=1S/C14H17F3N2O5/c15-14(16,17)24-8-1-7(2-8)9-3-19(11(22)23-9)13-4-12(5-13,6-13)18-10(20)21/h7-9,18H,1-6H2,(H,20,21)
InChIKeyFQGKPHVXBYJGIN-UHFFFAOYSA-N
MW350.29 g/mol
LogP2.06
Rot. Bonds4

About [3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid

[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid (PubChem CID 155254434) has the molecular formula C14H17F3N2O5 and a molecular weight of 350.29 g/mol. Its IUPAC name is [3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid.

Molecular Properties

Compound Name[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
PubChem CID155254434
Molecular FormulaC14H17F3N2O5
Molecular Weight350.29 g/mol
Exact Mass350.11
IUPAC Name[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
SMILESO=C(O)NC12CC(N3CC(C4CC(OC(F)(F)F)C4)OC3=O)(C1)C2
InChIInChI=1S/C14H17F3N2O5/c15-14(16,17)24-8-1-7(2-8)9-3-19(11(22)23-9)13-4-12(5-13,6-13)18-10(20)21/h7-9,18H,1-6H2,(H,20,21)
InChIKeyFQGKPHVXBYJGIN-UHFFFAOYSA-N
XLogP2.06
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 155254329
CID 155254329
CID 155254330
CID 155254330
CID 155634477
CID 155634477
CID 155254247
CID 155254247
CID 155634429
CID 155634429

Frequently Asked Questions

What is the IUPAC name of [3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid?
The IUPAC name of [3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid (CID 155254434) is [3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid.
What is the SMILES notation for [3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid?
The canonical SMILES for [3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid is O=C(O)NC12CC(N3CC(C4CC(OC(F)(F)F)C4)OC3=O)(C1)C2.
What is the InChIKey of [3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid?
The InChIKey is FQGKPHVXBYJGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O5/c15-14(16,17)24-8-1-7(2-8)9-3-19(11(22)23-9)13-4-12(5-13,6-13)18-10(20)21/h7-9,18H,1-6H2,(H,20,21).
What are the key properties of [3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid?
[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid has a molecular weight of 350.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid is sourced from PubChem (CID 155254434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).