2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane

C16H22F3N3O2 — CID 128704180

IUPAC2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane
SMILESFC(F)(F)C1CCN(Cc2noc(C3CC3)n2)CC12CCOCC2
InChIInChI=1S/C16H22F3N3O2/c17-16(18,19)12-3-6-22(10-15(12)4-7-23-8-5-15)9-13-20-14(24-21-13)11-1-2-11/h11-12H,1-10H2
InChIKeyLGYYUFPXQQFLCP-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.13
Rot. Bonds3

About 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane

2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane (PubChem CID 128704180) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane
PubChem CID128704180
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane
SMILESFC(F)(F)C1CCN(Cc2noc(C3CC3)n2)CC12CCOCC2
InChIInChI=1S/C16H22F3N3O2/c17-16(18,19)12-3-6-22(10-15(12)4-7-23-8-5-15)9-13-20-14(24-21-13)11-1-2-11/h11-12H,1-10H2
InChIKeyLGYYUFPXQQFLCP-UHFFFAOYSA-N
XLogP3.13
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane?
The IUPAC name of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane (CID 128704180) is 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane.
What is the SMILES notation for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane?
The canonical SMILES for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane is FC(F)(F)C1CCN(Cc2noc(C3CC3)n2)CC12CCOCC2.
What is the InChIKey of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane?
The InChIKey is LGYYUFPXQQFLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c17-16(18,19)12-3-6-22(10-15(12)4-7-23-8-5-15)9-13-20-14(24-21-13)11-1-2-11/h11-12H,1-10H2.
What are the key properties of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane?
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane has a molecular weight of 345.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane is sourced from PubChem (CID 128704180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).