[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone

C17H25N3O4 — CID 97422193

IUPAC[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
SMILESCc1noc([C@@H]2CCC3(CCN(C(=O)C4CCOCC4)CC3)O2)n1
InChIInChI=1S/C17H25N3O4/c1-12-18-15(24-19-12)14-2-5-17(23-14)6-8-20(9-7-17)16(21)13-3-10-22-11-4-13/h13-14H,2-11H2,1H3/t14-/m0/s1
InChIKeyQIZZEVXXIVZKAK-AWEZNQCLSA-N
MW335.40 g/mol
LogP2.02
Rot. Bonds2

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

[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone (PubChem CID 97422193) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
PubChem CID97422193
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
SMILESCc1noc([C@@H]2CCC3(CCN(C(=O)C4CCOCC4)CC3)O2)n1
InChIInChI=1S/C17H25N3O4/c1-12-18-15(24-19-12)14-2-5-17(23-14)6-8-20(9-7-17)16(21)13-3-10-22-11-4-13/h13-14H,2-11H2,1H3/t14-/m0/s1
InChIKeyQIZZEVXXIVZKAK-AWEZNQCLSA-N
XLogP2.02
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
(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
[(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
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
(3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxane-4-carbonyl)pyrrolidine-3-carboxamide
CID 91923250
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 136578700
(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
1,4-dioxan-2-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 47369855
[(3S,4R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 124892655
[(3S,4S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenylpyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 124892652
N'-hydroxy-4-methyl-1-(oxane-4-carbonyl)piperidine-4-carboximidamide
CID 107162353

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(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) is [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone is Cc1noc([C@@H]2CCC3(CCN(C(=O)C4CCOCC4)CC3)O2)n1.
What is the InChIKey of [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone?
The InChIKey is QIZZEVXXIVZKAK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-12-18-15(24-19-12)14-2-5-17(23-14)6-8-20(9-7-17)16(21)13-3-10-22-11-4-13/h13-14H,2-11H2,1H3/t14-/m0/s1.
What are the key properties of [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone?
[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone has a molecular weight of 335.40 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 97422193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).