8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane

C11H17N3O2 — CID 127705250

IUPAC8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane
SMILESCc1nnc(CN2CCOC3(CCC3)C2)o1
InChIInChI=1S/C11H17N3O2/c1-9-12-13-10(16-9)7-14-5-6-15-11(8-14)3-2-4-11/h2-8H2,1H3
InChIKeyKAQKRDVXCFTSSF-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.13
Rot. Bonds2

About 8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane

8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane (PubChem CID 127705250) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane.

Molecular Properties

Compound Name8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane
PubChem CID127705250
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane
SMILESCc1nnc(CN2CCOC3(CCC3)C2)o1
InChIInChI=1S/C11H17N3O2/c1-9-12-13-10(16-9)7-14-5-6-15-11(8-14)3-2-4-11/h2-8H2,1H3
InChIKeyKAQKRDVXCFTSSF-UHFFFAOYSA-N
XLogP1.13
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)-1,3,4-oxadiazole
CID 71976338
9-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 166260218
8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118746429
(6R)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372480
2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 47010419
4,9-diethyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 154672699
2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
CID 51078850
8-(4-methylpent-2-ynyl)-5-oxa-8-azaspiro[3.5]nonane
CID 171591165
4-(4-chlorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol
CID 118784767
2-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 171996122
4-[(4-methoxyphenyl)methyl]-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane
CID 175903976
[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]-piperidin-1-ylmethanone
CID 146078314

Frequently Asked Questions

What is the IUPAC name of 8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane?
The IUPAC name of 8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane (CID 127705250) is 8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane.
What is the SMILES notation for 8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane?
The canonical SMILES for 8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane is Cc1nnc(CN2CCOC3(CCC3)C2)o1.
What is the InChIKey of 8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane?
The InChIKey is KAQKRDVXCFTSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9-12-13-10(16-9)7-14-5-6-15-11(8-14)3-2-4-11/h2-8H2,1H3.
What are the key properties of 8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane?
8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane has a molecular weight of 223.28 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane is sourced from PubChem (CID 127705250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).