3-[3-(2-azaspiro[3.3]heptan-6-yl)propyl]-5-(trifluoromethyl)-1,2-oxazole

C13H17F3N2O — CID 171092910

IUPAC3-[3-(2-azaspiro[3.3]heptan-6-yl)propyl]-5-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(CCCC2CC3(CNC3)C2)no1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)11-4-10(18-19-11)3-1-2-9-5-12(6-9)7-17-8-12/h4,9,17H,1-3,5-8H2
InChIKeyIDGKQPKTRLSUCI-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.02
Rot. Bonds4

About 3-[3-(2-azaspiro[3.3]heptan-6-yl)propyl]-5-(trifluoromethyl)-1,2-oxazole

3-[3-(2-azaspiro[3.3]heptan-6-yl)propyl]-5-(trifluoromethyl)-1,2-oxazole (PubChem CID 171092910) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-[3-(2-azaspiro[3.3]heptan-6-yl)propyl]-5-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[3-(2-azaspiro[3.3]heptan-6-yl)propyl]-5-(trifluoromethyl)-1,2-oxazole
PubChem CID171092910
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name3-[3-(2-azaspiro[3.3]heptan-6-yl)propyl]-5-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(CCCC2CC3(CNC3)C2)no1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)11-4-10(18-19-11)3-1-2-9-5-12(6-9)7-17-8-12/h4,9,17H,1-3,5-8H2
InChIKeyIDGKQPKTRLSUCI-UHFFFAOYSA-N
XLogP3.02
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-azaspiro[3.3]heptan-6-yl)propyl]-5-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 3-[3-(2-azaspiro[3.3]heptan-6-yl)propyl]-5-(trifluoromethyl)-1,2-oxazole (CID 171092910) is 3-[3-(2-azaspiro[3.3]heptan-6-yl)propyl]-5-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 3-[3-(2-azaspiro[3.3]heptan-6-yl)propyl]-5-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 3-[3-(2-azaspiro[3.3]heptan-6-yl)propyl]-5-(trifluoromethyl)-1,2-oxazole is FC(F)(F)c1cc(CCCC2CC3(CNC3)C2)no1.
What is the InChIKey of 3-[3-(2-azaspiro[3.3]heptan-6-yl)propyl]-5-(trifluoromethyl)-1,2-oxazole?
The InChIKey is IDGKQPKTRLSUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)11-4-10(18-19-11)3-1-2-9-5-12(6-9)7-17-8-12/h4,9,17H,1-3,5-8H2.
What are the key properties of 3-[3-(2-azaspiro[3.3]heptan-6-yl)propyl]-5-(trifluoromethyl)-1,2-oxazole?
3-[3-(2-azaspiro[3.3]heptan-6-yl)propyl]-5-(trifluoromethyl)-1,2-oxazole has a molecular weight of 274.29 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-azaspiro[3.3]heptan-6-yl)propyl]-5-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 171092910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).