11-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane

C15H23N3O3 — CID 86788406

IUPAC11-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane
SMILESC1CC2(CCO1)COCCN(Cc1noc(C3CC3)n1)C2
InChIInChI=1S/C15H23N3O3/c1-2-12(1)14-16-13(17-21-14)9-18-5-8-20-11-15(10-18)3-6-19-7-4-15/h12H,1-11H2
InChIKeyUYOMXSYOSMQHIN-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.58
Rot. Bonds3

About 11-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane

11-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane (PubChem CID 86788406) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 11-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane
PubChem CID86788406
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name11-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane
SMILESC1CC2(CCO1)COCCN(Cc1noc(C3CC3)n1)C2
InChIInChI=1S/C15H23N3O3/c1-2-12(1)14-16-13(17-21-14)9-18-5-8-20-11-15(10-18)3-6-19-7-4-15/h12H,1-11H2
InChIKeyUYOMXSYOSMQHIN-UHFFFAOYSA-N
XLogP1.58
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 11-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane?
The IUPAC name of 11-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane (CID 86788406) is 11-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane.
What is the SMILES notation for 11-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane?
The canonical SMILES for 11-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane is C1CC2(CCO1)COCCN(Cc1noc(C3CC3)n1)C2.
What is the InChIKey of 11-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane?
The InChIKey is UYOMXSYOSMQHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-12(1)14-16-13(17-21-14)9-18-5-8-20-11-15(10-18)3-6-19-7-4-15/h12H,1-11H2.
What are the key properties of 11-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane?
11-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane has a molecular weight of 293.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane is sourced from PubChem (CID 86788406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).