2,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decane

C13H21N3O2 — CID 23356744

IUPAC2,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCc1noc(C2CC3(CCN(C)CC3)OC2C)n1
InChIInChI=1S/C13H21N3O2/c1-9-11(12-14-10(2)15-18-12)8-13(17-9)4-6-16(3)7-5-13/h9,11H,4-8H2,1-3H3
InChIKeyDOIFLSHHJJCURE-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.73
Rot. Bonds1

About 2,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decane

2,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 23356744) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name2,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID23356744
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCc1noc(C2CC3(CCN(C)CC3)OC2C)n1
InChIInChI=1S/C13H21N3O2/c1-9-11(12-14-10(2)15-18-12)8-13(17-9)4-6-16(3)7-5-13/h9,11H,4-8H2,1-3H3
InChIKeyDOIFLSHHJJCURE-UHFFFAOYSA-N
XLogP1.73
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 2,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decane (CID 23356744) is 2,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 2,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 2,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decane is Cc1noc(C2CC3(CCN(C)CC3)OC2C)n1.
What is the InChIKey of 2,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is DOIFLSHHJJCURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-11(12-14-10(2)15-18-12)8-13(17-9)4-6-16(3)7-5-13/h9,11H,4-8H2,1-3H3.
What are the key properties of 2,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decane?
2,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 251.33 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 23356744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).