1-(2-azaspiro[5.5]undecan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-one

C19H29N3O2 — CID 84584459

IUPAC1-(2-azaspiro[5.5]undecan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESO=C(CCCc1nc(C2CC2)no1)N1CCCC2(CCCCC2)C1
InChIInChI=1S/C19H29N3O2/c23-17(7-4-6-16-20-18(21-24-16)15-8-9-15)22-13-5-12-19(14-22)10-2-1-3-11-19/h15H,1-14H2
InChIKeyVJLGJBIXQKNQOQ-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.84
Rot. Bonds5

About 1-(2-azaspiro[5.5]undecan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-one

1-(2-azaspiro[5.5]undecan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-one (PubChem CID 84584459) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(2-azaspiro[5.5]undecan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-one.

Molecular Properties

Compound Name1-(2-azaspiro[5.5]undecan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-one
PubChem CID84584459
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-(2-azaspiro[5.5]undecan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESO=C(CCCc1nc(C2CC2)no1)N1CCCC2(CCCCC2)C1
InChIInChI=1S/C19H29N3O2/c23-17(7-4-6-16-20-18(21-24-16)15-8-9-15)22-13-5-12-19(14-22)10-2-1-3-11-19/h15H,1-14H2
InChIKeyVJLGJBIXQKNQOQ-UHFFFAOYSA-N
XLogP3.84
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-azaspiro[5.5]undecan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-one with MolForge

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Related Compounds

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 166211937
6-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174670
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride
CID 119577941
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 65390511
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346459
1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylic acid
CID 167988619
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(furan-2-yl)azepan-1-yl]butan-1-one
CID 71930225
1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 72907067
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120546481
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65390677
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 79200552

Frequently Asked Questions

What is the IUPAC name of 1-(2-azaspiro[5.5]undecan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-one?
The IUPAC name of 1-(2-azaspiro[5.5]undecan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-one (CID 84584459) is 1-(2-azaspiro[5.5]undecan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-one.
What is the SMILES notation for 1-(2-azaspiro[5.5]undecan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-one?
The canonical SMILES for 1-(2-azaspiro[5.5]undecan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-one is O=C(CCCc1nc(C2CC2)no1)N1CCCC2(CCCCC2)C1.
What is the InChIKey of 1-(2-azaspiro[5.5]undecan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-one?
The InChIKey is VJLGJBIXQKNQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-17(7-4-6-16-20-18(21-24-16)15-8-9-15)22-13-5-12-19(14-22)10-2-1-3-11-19/h15H,1-14H2.
What are the key properties of 1-(2-azaspiro[5.5]undecan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-one?
1-(2-azaspiro[5.5]undecan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-one has a molecular weight of 331.46 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azaspiro[5.5]undecan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-one is sourced from PubChem (CID 84584459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).