1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one

C19H24N4O3 — CID 72907067

IUPAC1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESO=C(CCCc1nc(-c2ccncc2)no1)N1CCCC2(CCOC2)C1
InChIInChI=1S/C19H24N4O3/c24-17(23-11-2-7-19(13-23)8-12-25-14-19)4-1-3-16-21-18(22-26-16)15-5-9-20-10-6-15/h5-6,9-10H,1-4,7-8,11-14H2
InChIKeyKRUCSFLOZZGIHI-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.48
Rot. Bonds5

About 1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one

1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one (PubChem CID 72907067) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one.

Molecular Properties

Compound Name1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one
PubChem CID72907067
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESO=C(CCCc1nc(-c2ccncc2)no1)N1CCCC2(CCOC2)C1
InChIInChI=1S/C19H24N4O3/c24-17(23-11-2-7-19(13-23)8-12-25-14-19)4-1-3-16-21-18(22-26-16)15-5-9-20-10-6-15/h5-6,9-10H,1-4,7-8,11-14H2
InChIKeyKRUCSFLOZZGIHI-UHFFFAOYSA-N
XLogP2.48
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one with MolForge

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Related Compounds

8-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 118773150
1-[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 164695043
1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)-3-pyridin-4-ylpropan-1-one
CID 75503965
1-[(3S)-3-ethylmorpholin-4-yl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 70768575
1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 146044549
1-[3-(hydroxymethyl)piperidin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 110886801
1-(4-fluorophenyl)-4-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]butane-1,4-dione
CID 97151104
1-(2-azaspiro[5.5]undecan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 84584459
2-(1,2-benzoxazol-3-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97280143
(5R)-7-methyl-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97130751
3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 43042917
1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-pyridin-4-ylethanone
CID 118745338

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one?
The IUPAC name of 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) is 1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one.
What is the SMILES notation for 1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one?
The canonical SMILES for 1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one is O=C(CCCc1nc(-c2ccncc2)no1)N1CCCC2(CCOC2)C1.
What is the InChIKey of 1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one?
The InChIKey is KRUCSFLOZZGIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-17(23-11-2-7-19(13-23)8-12-25-14-19)4-1-3-16-21-18(22-26-16)15-5-9-20-10-6-15/h5-6,9-10H,1-4,7-8,11-14H2.
What are the key properties of 1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one?
1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one has a molecular weight of 356.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one is sourced from PubChem (CID 72907067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).