4-methyl-9-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane

C13H19F3N4O2 — CID 138809801

IUPAC4-methyl-9-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCN1CCOC2(CCN(c3nnc(CC(F)(F)F)o3)CC2)C1
InChIInChI=1S/C13H19F3N4O2/c1-19-6-7-21-12(9-19)2-4-20(5-3-12)11-18-17-10(22-11)8-13(14,15)16/h2-9H2,1H3
InChIKeySIPZDNLBZATRPP-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.48
Rot. Bonds2

About 4-methyl-9-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane

4-methyl-9-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 138809801) has the molecular formula C13H19F3N4O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is 4-methyl-9-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-methyl-9-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID138809801
Molecular FormulaC13H19F3N4O2
Molecular Weight320.32 g/mol
Exact Mass320.15
IUPAC Name4-methyl-9-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCN1CCOC2(CCN(c3nnc(CC(F)(F)F)o3)CC2)C1
InChIInChI=1S/C13H19F3N4O2/c1-19-6-7-21-12(9-19)2-4-20(5-3-12)11-18-17-10(22-11)8-13(14,15)16/h2-9H2,1H3
InChIKeySIPZDNLBZATRPP-UHFFFAOYSA-N
XLogP1.48
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138809532
9-fluoro-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 166686001
(4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane
CID 177187480
ethane;9-ethyl-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 171845223
4-methyl-1-oxa-4-azaspiro[5.5]undecane
CID 23544679
4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138387831
9-(5-methoxypyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138382150
2-(chloromethyl)-5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazole
CID 106957613
9-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138382783
5-fluoro-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-1,2-dihydropyridin-3-amine
CID 163659095
8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane
CID 127705250
3-hydroxy-2,2-dimethyl-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propan-1-one
CID 162628856

Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-methyl-9-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane (CID 138809801) is 4-methyl-9-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-methyl-9-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-methyl-9-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane is CN1CCOC2(CCN(c3nnc(CC(F)(F)F)o3)CC2)C1.
What is the InChIKey of 4-methyl-9-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is SIPZDNLBZATRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2/c1-19-6-7-21-12(9-19)2-4-20(5-3-12)11-18-17-10(22-11)8-13(14,15)16/h2-9H2,1H3.
What are the key properties of 4-methyl-9-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane?
4-methyl-9-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 320.32 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 138809801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).