9-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one

C14H21N3O3 — CID 56867345

IUPAC9-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESCCc1nnc(CN2CCC3(CCCO3)CCC2=O)o1
InChIInChI=1S/C14H21N3O3/c1-2-11-15-16-12(20-11)10-17-8-7-14(5-3-9-19-14)6-4-13(17)18/h2-10H2,1H3
InChIKeyYZHQQCMFPHRWPH-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.69
Rot. Bonds3

About 9-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one

9-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one (PubChem CID 56867345) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 9-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one.

Molecular Properties

Compound Name9-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
PubChem CID56867345
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name9-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESCCc1nnc(CN2CCC3(CCCO3)CCC2=O)o1
InChIInChI=1S/C14H21N3O3/c1-2-11-15-16-12(20-11)10-17-8-7-14(5-3-9-19-14)6-4-13(17)18/h2-10H2,1H3
InChIKeyYZHQQCMFPHRWPH-UHFFFAOYSA-N
XLogP1.69
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The IUPAC name of 9-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one (CID 56867345) is 9-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one.
What is the SMILES notation for 9-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The canonical SMILES for 9-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one is CCc1nnc(CN2CCC3(CCCO3)CCC2=O)o1.
What is the InChIKey of 9-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The InChIKey is YZHQQCMFPHRWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-11-15-16-12(20-11)10-17-8-7-14(5-3-9-19-14)6-4-13(17)18/h2-10H2,1H3.
What are the key properties of 9-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
9-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one has a molecular weight of 279.34 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one is sourced from PubChem (CID 56867345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).