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

C12H19N3O3 — CID 78969841

IUPAC8-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCc1nc(CN2CCC3(CC2)OCCO3)no1
InChIInChI=1S/C12H19N3O3/c1-2-11-13-10(14-18-11)9-15-5-3-12(4-6-15)16-7-8-17-12/h2-9H2,1H3
InChIKeySYNICUHDHOOLBE-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.97
Rot. Bonds3

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

8-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 78969841) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 8-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID78969841
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name8-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCc1nc(CN2CCC3(CC2)OCCO3)no1
InChIInChI=1S/C12H19N3O3/c1-2-11-13-10(14-18-11)9-15-5-3-12(4-6-15)16-7-8-17-12/h2-9H2,1H3
InChIKeySYNICUHDHOOLBE-UHFFFAOYSA-N
XLogP0.97
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 78969841) is 8-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is CCc1nc(CN2CCC3(CC2)OCCO3)no1.
What is the InChIKey of 8-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is SYNICUHDHOOLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-2-11-13-10(14-18-11)9-15-5-3-12(4-6-15)16-7-8-17-12/h2-9H2,1H3.
What are the key properties of 8-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 253.30 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 78969841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).