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

C13H21N3O2 — CID 71915809

IUPAC9-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
SMILESCCc1noc(CN2CCOC3(CCCC3)C2)n1
InChIInChI=1S/C13H21N3O2/c1-2-11-14-12(18-15-11)9-16-7-8-17-13(10-16)5-3-4-6-13/h2-10H2,1H3
InChIKeyRBVRYIBAPYKEGX-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.78
Rot. Bonds3

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

9-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxa-9-azaspiro[4.5]decane (PubChem CID 71915809) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 9-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
PubChem CID71915809
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name9-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxa-9-azaspiro[4.5]decane
SMILESCCc1noc(CN2CCOC3(CCCC3)C2)n1
InChIInChI=1S/C13H21N3O2/c1-2-11-14-12(18-15-11)9-16-7-8-17-13(10-16)5-3-4-6-13/h2-10H2,1H3
InChIKeyRBVRYIBAPYKEGX-UHFFFAOYSA-N
XLogP1.78
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxa-9-azaspiro[4.5]decane (CID 71915809) is 9-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxa-9-azaspiro[4.5]decane is CCc1noc(CN2CCOC3(CCCC3)C2)n1.
What is the InChIKey of 9-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is RBVRYIBAPYKEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-11-14-12(18-15-11)9-16-7-8-17-13(10-16)5-3-4-6-13/h2-10H2,1H3.
What are the key properties of 9-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxa-9-azaspiro[4.5]decane?
9-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 251.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 71915809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).