4-methyl-1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one

C21H28N4O3 — CID 86771711

IUPAC4-methyl-1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CC(c2nc(-c3cccnc3)no2)C2(CCOCC2)C1
InChIInChI=1S/C21H28N4O3/c1-15(2)5-6-18(26)25-13-17(21(14-25)7-10-27-11-8-21)20-23-19(24-28-20)16-4-3-9-22-12-16/h3-4,9,12,15,17H,5-8,10-11,13-14H2,1-2H3
InChIKeyNPKPGYMCJUVLNH-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.29
Rot. Bonds5

About 4-methyl-1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one

4-methyl-1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one (PubChem CID 86771711) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-methyl-1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one
PubChem CID86771711
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name4-methyl-1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CC(c2nc(-c3cccnc3)no2)C2(CCOCC2)C1
InChIInChI=1S/C21H28N4O3/c1-15(2)5-6-18(26)25-13-17(21(14-25)7-10-27-11-8-21)20-23-19(24-28-20)16-4-3-9-22-12-16/h3-4,9,12,15,17H,5-8,10-11,13-14H2,1-2H3
InChIKeyNPKPGYMCJUVLNH-UHFFFAOYSA-N
XLogP3.29
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one with MolForge

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Related Compounds

N-propyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 86771713
2-ethyl-1-[(4S)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 97045306
2-cyclopentyl-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethanone
CID 71836160
1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-methoxyethanone
CID 71836129
1-[(4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-4-phenylbutan-1-one
CID 95990967
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one
CID 71836225
1-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 70729423
1-[(3aS,6aS)-3a-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,4-dimethylpentan-1-one
CID 128970122
1-(2,2-dimethylmorpholin-4-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 86981275
3-(1-methylindol-3-yl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one
CID 110242946
3-pyridin-3-yl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 91768791
4-methyl-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentan-1-one
CID 55682874

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one?
The IUPAC name of 4-methyl-1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one (CID 86771711) is 4-methyl-1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one.
What is the SMILES notation for 4-methyl-1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one?
The canonical SMILES for 4-methyl-1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one is CC(C)CCC(=O)N1CC(c2nc(-c3cccnc3)no2)C2(CCOCC2)C1.
What is the InChIKey of 4-methyl-1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one?
The InChIKey is NPKPGYMCJUVLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15(2)5-6-18(26)25-13-17(21(14-25)7-10-27-11-8-21)20-23-19(24-28-20)16-4-3-9-22-12-16/h3-4,9,12,15,17H,5-8,10-11,13-14H2,1-2H3.
What are the key properties of 4-methyl-1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one?
4-methyl-1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one has a molecular weight of 384.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one is sourced from PubChem (CID 86771711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).