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

C15H26N4O2 — CID 138809532

IUPAC4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CC1)CN(c1nnc(C(C)(C)C)o1)CCO2
InChIInChI=1S/C15H26N4O2/c1-14(2,3)12-16-17-13(21-12)19-9-10-20-15(11-19)5-7-18(4)8-6-15/h5-11H2,1-4H3
InChIKeyDMTSUQBWQVOXQY-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.67
Rot. Bonds1

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

4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 138809532) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID138809532
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CC1)CN(c1nnc(C(C)(C)C)o1)CCO2
InChIInChI=1S/C15H26N4O2/c1-14(2,3)12-16-17-13(21-12)19-9-10-20-15(11-19)5-7-18(4)8-6-15/h5-11H2,1-4H3
InChIKeyDMTSUQBWQVOXQY-UHFFFAOYSA-N
XLogP1.67
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138387831
(5S)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 97199806
(5R)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97206281
4-methyl-9-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138809801
9-methyl-4-(1,3-thiazol-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138380428
1'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 163310687
4,6-dimethyl-2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile
CID 138379468
9-methyl-4-(4-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138378631
4-(5-chloro-2-pyridinyl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138382286
(4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane
CID 177187480
5-chloro-6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid
CID 138383282
[6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 138379040

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 138809532) is 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is CN1CCC2(CC1)CN(c1nnc(C(C)(C)C)o1)CCO2.
What is the InChIKey of 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is DMTSUQBWQVOXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-14(2,3)12-16-17-13(21-12)19-9-10-20-15(11-19)5-7-18(4)8-6-15/h5-11H2,1-4H3.
What are the key properties of 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 294.40 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 138809532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).