8-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane

C15H19N3O3 — CID 19045246

IUPAC8-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1cc2nonc2cc1CCN1CCC2(CC1)OCCO2
InChIInChI=1S/C15H19N3O3/c1-2-13-14(17-21-16-13)11-12(1)3-6-18-7-4-15(5-8-18)19-9-10-20-15/h1-2,11H,3-10H2
InChIKeyWYKNHMDGGOKFQP-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.60
Rot. Bonds3

About 8-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 19045246) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 8-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID19045246
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name8-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1cc2nonc2cc1CCN1CCC2(CC1)OCCO2
InChIInChI=1S/C15H19N3O3/c1-2-13-14(17-21-16-13)11-12(1)3-6-18-7-4-15(5-8-18)19-9-10-20-15/h1-2,11H,3-10H2
InChIKeyWYKNHMDGGOKFQP-UHFFFAOYSA-N
XLogP1.60
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 19045246) is 8-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is c1cc2nonc2cc1CCN1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is WYKNHMDGGOKFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-13-14(17-21-16-13)11-12(1)3-6-18-7-4-15(5-8-18)19-9-10-20-15/h1-2,11H,3-10H2.
What are the key properties of 8-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 289.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 19045246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).