8-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one

C18H20N4O5 — CID 118773150

IUPAC8-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESO=C1OCC2(CCN(C(=O)CCCc3nc(-c4ccncc4)no3)CC2)O1
InChIInChI=1S/C18H20N4O5/c23-15(22-10-6-18(7-11-22)12-25-17(24)26-18)3-1-2-14-20-16(21-27-14)13-4-8-19-9-5-13/h4-5,8-9H,1-3,6-7,10-12H2
InChIKeyBPTVQTPPENHTHQ-UHFFFAOYSA-N
MW372.38 g/mol
LogP1.98
Rot. Bonds5

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

8-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one (PubChem CID 118773150) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is 8-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
PubChem CID118773150
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name8-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESO=C1OCC2(CCN(C(=O)CCCc3nc(-c4ccncc4)no3)CC2)O1
InChIInChI=1S/C18H20N4O5/c23-15(22-10-6-18(7-11-22)12-25-17(24)26-18)3-1-2-14-20-16(21-27-14)13-4-8-19-9-5-13/h4-5,8-9H,1-3,6-7,10-12H2
InChIKeyBPTVQTPPENHTHQ-UHFFFAOYSA-N
XLogP1.98
TPSA107.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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-(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
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-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 164699921
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperazin-1-ylbutan-1-one
CID 119400800
1-[(3S)-3-ethylmorpholin-4-yl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 70768575
1-(4-aminopiperidin-1-yl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-one
CID 119373593
1-(4-aminopiperidin-1-yl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-one
CID 119375212
1-(4-benzhydrylpiperazin-1-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 39428061
(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
8a-ethyl-7-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146045404
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 9255728

Frequently Asked Questions

What is the IUPAC name of 8-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 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) is 8-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one is O=C1OCC2(CCN(C(=O)CCCc3nc(-c4ccncc4)no3)CC2)O1.
What is the InChIKey of 8-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is BPTVQTPPENHTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c23-15(22-10-6-18(7-11-22)12-25-17(24)26-18)3-1-2-14-20-16(21-27-14)13-4-8-19-9-5-13/h4-5,8-9H,1-3,6-7,10-12H2.
What are the key properties of 8-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
8-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 372.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 118773150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).