1-ethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)azonan-2-one

C13H21N3O2 — CID 123598825

IUPAC1-ethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)azonan-2-one
SMILESCCN1CCC(c2nnc(C)o2)CCCCC1=O
InChIInChI=1S/C13H21N3O2/c1-3-16-9-8-11(6-4-5-7-12(16)17)13-15-14-10(2)18-13/h11H,3-9H2,1-2H3
InChIKeyMZRQZKAFLXSHIE-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.27
Rot. Bonds2

About 1-ethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)azonan-2-one

1-ethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)azonan-2-one (PubChem CID 123598825) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-ethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)azonan-2-one.

Molecular Properties

Compound Name1-ethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)azonan-2-one
PubChem CID123598825
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-ethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)azonan-2-one
SMILESCCN1CCC(c2nnc(C)o2)CCCCC1=O
InChIInChI=1S/C13H21N3O2/c1-3-16-9-8-11(6-4-5-7-12(16)17)13-15-14-10(2)18-13/h11H,3-9H2,1-2H3
InChIKeyMZRQZKAFLXSHIE-UHFFFAOYSA-N
XLogP2.27
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-5-methyl-1,3,4-oxadiazole;propane
CID 153404775
2-cyclohexyl-5-methyl-1,3,4-oxadiazole;methanamine
CID 143346929
2-(1-cyclopentylsulfonylpiperidin-4-yl)-5-methyl-1,3,4-oxadiazole
CID 110421409
2-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole
CID 73439255
trans-(1R,2R)-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]cyclohexan-1-ol
CID 95827633
2-(1-butylsulfonylpiperidin-4-yl)-5-methyl-1,3,4-oxadiazole
CID 110603745
N-[4-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 51137181
N-cyclohexyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 110603715
1-ethylpyrrolidin-2-one;hydrazine
CID 159147234
2-methyl-5-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615184
ethane;2-methyl-5-(oxan-4-yl)-1,3,4-oxadiazole
CID 144584671
3-ethyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 110421389

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)azonan-2-one?
The IUPAC name of 1-ethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)azonan-2-one (CID 123598825) is 1-ethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)azonan-2-one.
What is the SMILES notation for 1-ethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)azonan-2-one?
The canonical SMILES for 1-ethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)azonan-2-one is CCN1CCC(c2nnc(C)o2)CCCCC1=O.
What is the InChIKey of 1-ethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)azonan-2-one?
The InChIKey is MZRQZKAFLXSHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-16-9-8-11(6-4-5-7-12(16)17)13-15-14-10(2)18-13/h11H,3-9H2,1-2H3.
What are the key properties of 1-ethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)azonan-2-one?
1-ethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)azonan-2-one has a molecular weight of 251.33 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)azonan-2-one is sourced from PubChem (CID 123598825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).