(5R)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol

C15H25N3O3 — CID 97206281

IUPAC(5R)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESCC(C)(C)c1nnc(N2CCC3(CC2)OCCC[C@H]3O)o1
InChIInChI=1S/C15H25N3O3/c1-14(2,3)12-16-17-13(21-12)18-8-6-15(7-9-18)11(19)5-4-10-20-15/h11,19H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyLMBJBFPLINPFMK-LLVKDONJSA-N
MW295.38 g/mol
LogP1.88
Rot. Bonds1

About (5R)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol

(5R)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol (PubChem CID 97206281) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is (5R)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name(5R)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
PubChem CID97206281
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name(5R)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESCC(C)(C)c1nnc(N2CCC3(CC2)OCCC[C@H]3O)o1
InChIInChI=1S/C15H25N3O3/c1-14(2,3)12-16-17-13(21-12)18-8-6-15(7-9-18)11(19)5-4-10-20-15/h11,19H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyLMBJBFPLINPFMK-LLVKDONJSA-N
XLogP1.88
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
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
(5S)-9-(2-amino-6-methylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97188648
(5S)-9-(6-morpholin-4-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97116191
(5R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97148136
1'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 163310687
(5R)-9-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97188426
9-(2-amino-2-methylpropyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol;dihydrochloride
CID 154897763
9-(4-ethyl-5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72842183
(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
9-[(4-pyrrolidin-1-ylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 110156796
8-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3,7-dimethylpurine-2,6-dione
CID 97193016
8-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3,7-dimethylpurine-2,6-dione
CID 97193015

Frequently Asked Questions

What is the IUPAC name of (5R)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The IUPAC name of (5R)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol (CID 97206281) is (5R)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol.
What is the SMILES notation for (5R)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The canonical SMILES for (5R)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol is CC(C)(C)c1nnc(N2CCC3(CC2)OCCC[C@H]3O)o1.
What is the InChIKey of (5R)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The InChIKey is LMBJBFPLINPFMK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-14(2,3)12-16-17-13(21-12)18-8-6-15(7-9-18)11(19)5-4-10-20-15/h11,19H,4-10H2,1-3H3/t11-/m1/s1.
What are the key properties of (5R)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
(5R)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol has a molecular weight of 295.38 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 97206281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).