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

C16H25N3O3 — CID 71836225

IUPAC1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one
SMILESCCCCC(=O)N1CC(c2nc(C)no2)C2(CCOCC2)C1
InChIInChI=1S/C16H25N3O3/c1-3-4-5-14(20)19-10-13(15-17-12(2)18-22-15)16(11-19)6-8-21-9-7-16/h13H,3-11H2,1-2H3
InChIKeyFSRZTGFHSBDZAA-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.29
Rot. Bonds4

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

1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one (PubChem CID 71836225) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one
PubChem CID71836225
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one
SMILESCCCCC(=O)N1CC(c2nc(C)no2)C2(CCOCC2)C1
InChIInChI=1S/C16H25N3O3/c1-3-4-5-14(20)19-10-13(15-17-12(2)18-22-15)16(11-19)6-8-21-9-7-16/h13H,3-11H2,1-2H3
InChIKeyFSRZTGFHSBDZAA-UHFFFAOYSA-N
XLogP2.29
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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]-2-(4-methylphenyl)ethanone
CID 71836236
1-[(3S,4S)-3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pentan-1-one
CID 110202971
1-[4-(1-methylpyrazol-4-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]octan-1-one
CID 126815097
[(4R)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 97045302
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
4-methyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one
CID 91924593
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-[7-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-methylpropan-1-one
CID 138987399
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 155982970
N-propyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 86771713
1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-3-phenylpropan-1-one
CID 91912405

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one?
The IUPAC name of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one (CID 71836225) is 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one?
The canonical SMILES for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one is CCCCC(=O)N1CC(c2nc(C)no2)C2(CCOCC2)C1.
What is the InChIKey of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one?
The InChIKey is FSRZTGFHSBDZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-3-4-5-14(20)19-10-13(15-17-12(2)18-22-15)16(11-19)6-8-21-9-7-16/h13H,3-11H2,1-2H3.
What are the key properties of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one?
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one has a molecular weight of 307.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]pentan-1-one is sourced from PubChem (CID 71836225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).