9-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol

C17H22N4O3 — CID 91842518

IUPAC9-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESOC1CCCOC12CCN(Cc1nc(-c3ccncc3)no1)CC2
InChIInChI=1S/C17H22N4O3/c22-14-2-1-11-23-17(14)5-9-21(10-6-17)12-15-19-16(20-24-15)13-3-7-18-8-4-13/h3-4,7-8,14,22H,1-2,5-6,9-12H2
InChIKeyVXSABRMLYLCXSW-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.64
Rot. Bonds3

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

9-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol (PubChem CID 91842518) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 9-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name9-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
PubChem CID91842518
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name9-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESOC1CCCOC12CCN(Cc1nc(-c3ccncc3)no1)CC2
InChIInChI=1S/C17H22N4O3/c22-14-2-1-11-23-17(14)5-9-21(10-6-17)12-15-19-16(20-24-15)13-3-7-18-8-4-13/h3-4,7-8,14,22H,1-2,5-6,9-12H2
InChIKeyVXSABRMLYLCXSW-UHFFFAOYSA-N
XLogP1.64
TPSA84.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol with MolForge

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Related Compounds

4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 80702356
5-(azepan-1-ylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 6485769
5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 667308
(5S,6S)-8-[(3-methyl-4-pyridinyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110155900
2-[[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 97199455
4-[5-[[(3S,4S)-3,4-dihydroxypiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 56755495
azepan-1-yl-[1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
CID 134011136
[1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 38143577
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 37134678
5-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 94897731
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]-2-cyclohexylethanone
CID 53148666
(5S)-9-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 124967123

Frequently Asked Questions

What is the IUPAC name of 9-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The IUPAC name of 9-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol (CID 91842518) is 9-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol.
What is the SMILES notation for 9-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The canonical SMILES for 9-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol is OC1CCCOC12CCN(Cc1nc(-c3ccncc3)no1)CC2.
What is the InChIKey of 9-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The InChIKey is VXSABRMLYLCXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-14-2-1-11-23-17(14)5-9-21(10-6-17)12-15-19-16(20-24-15)13-3-7-18-8-4-13/h3-4,7-8,14,22H,1-2,5-6,9-12H2.
What are the key properties of 9-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol?
9-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol has a molecular weight of 330.39 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 91842518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).