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

C18H23N5O3 — CID 131681689

IUPAC1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-pyrimidin-5-ylpropan-1-one
SMILESCc1noc(C2CCC3(CCN(C(=O)CCc4cncnc4)CC3)O2)n1
InChIInChI=1S/C18H23N5O3/c1-13-21-17(26-22-13)15-4-5-18(25-15)6-8-23(9-7-18)16(24)3-2-14-10-19-12-20-11-14/h10-12,15H,2-9H2,1H3
InChIKeyUTGKVKUIGRSXRT-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.01
Rot. Bonds4

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

1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-pyrimidin-5-ylpropan-1-one (PubChem CID 131681689) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-pyrimidin-5-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-pyrimidin-5-ylpropan-1-one
PubChem CID131681689
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-pyrimidin-5-ylpropan-1-one
SMILESCc1noc(C2CCC3(CCN(C(=O)CCc4cncnc4)CC3)O2)n1
InChIInChI=1S/C18H23N5O3/c1-13-21-17(26-22-13)15-4-5-18(25-15)6-8-23(9-7-18)16(24)3-2-14-10-19-12-20-11-14/h10-12,15H,2-9H2,1H3
InChIKeyUTGKVKUIGRSXRT-UHFFFAOYSA-N
XLogP2.01
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone
CID 131646693
[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
CID 97422193
[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone
CID 97422213
[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone
CID 131660522
(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97422180
3-(4-ethoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 51092050
(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-8-[(3-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97486184
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 118769589
3-(3,4-dimethoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 47061048
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 155982970
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 56821867
1-[3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-3-pyrimidin-5-ylpropan-1-one
CID 131681938

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-pyrimidin-5-ylpropan-1-one?
The IUPAC name of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-pyrimidin-5-ylpropan-1-one (CID 131681689) is 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-pyrimidin-5-ylpropan-1-one.
What is the SMILES notation for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-pyrimidin-5-ylpropan-1-one?
The canonical SMILES for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-pyrimidin-5-ylpropan-1-one is Cc1noc(C2CCC3(CCN(C(=O)CCc4cncnc4)CC3)O2)n1.
What is the InChIKey of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-pyrimidin-5-ylpropan-1-one?
The InChIKey is UTGKVKUIGRSXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-13-21-17(26-22-13)15-4-5-18(25-15)6-8-23(9-7-18)16(24)3-2-14-10-19-12-20-11-14/h10-12,15H,2-9H2,1H3.
What are the key properties of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-pyrimidin-5-ylpropan-1-one?
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-pyrimidin-5-ylpropan-1-one has a molecular weight of 357.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-pyrimidin-5-ylpropan-1-one is sourced from PubChem (CID 131681689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).