9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane

C12H19N3O2 — CID 71915811

IUPAC9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
SMILESCc1nc(CN2CCOC3(CCCC3)C2)no1
InChIInChI=1S/C12H19N3O2/c1-10-13-11(14-17-10)8-15-6-7-16-12(9-15)4-2-3-5-12/h2-9H2,1H3
InChIKeyGIKBOBMQMKAORC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.52
Rot. Bonds2

About 9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane

9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane (PubChem CID 71915811) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
PubChem CID71915811
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
SMILESCc1nc(CN2CCOC3(CCCC3)C2)no1
InChIInChI=1S/C12H19N3O2/c1-10-13-11(14-17-10)8-15-6-7-16-12(9-15)4-2-3-5-12/h2-9H2,1H3
InChIKeyGIKBOBMQMKAORC-UHFFFAOYSA-N
XLogP1.52
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane (CID 71915811) is 9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane is Cc1nc(CN2CCOC3(CCCC3)C2)no1.
What is the InChIKey of 9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is GIKBOBMQMKAORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-10-13-11(14-17-10)8-15-6-7-16-12(9-15)4-2-3-5-12/h2-9H2,1H3.
What are the key properties of 9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane?
9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 237.30 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 71915811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).