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

C20H25N3O3 — CID 71836236

IUPAC1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CC(c3nc(C)no3)C3(CCOCC3)C2)cc1
InChIInChI=1S/C20H25N3O3/c1-14-3-5-16(6-4-14)11-18(24)23-12-17(19-21-15(2)22-26-19)20(13-23)7-9-25-10-8-20/h3-6,17H,7-13H2,1-2H3
InChIKeyFIKIOPSOSLSXLT-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.65
Rot. Bonds3

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

1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(4-methylphenyl)ethanone (PubChem CID 71836236) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 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]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(4-methylphenyl)ethanone
PubChem CID71836236
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CC(c3nc(C)no3)C3(CCOCC3)C2)cc1
InChIInChI=1S/C20H25N3O3/c1-14-3-5-16(6-4-14)11-18(24)23-12-17(19-21-15(2)22-26-19)20(13-23)7-9-25-10-8-20/h3-6,17H,7-13H2,1-2H3
InChIKeyFIKIOPSOSLSXLT-UHFFFAOYSA-N
XLogP2.65
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]-2-(4-methylphenyl)ethanone?
The IUPAC name of 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) is 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(4-methylphenyl)ethanone.
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]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)N2CC(c3nc(C)no3)C3(CCOCC3)C2)cc1.
What is the InChIKey of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is FIKIOPSOSLSXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-3-5-16(6-4-14)11-18(24)23-12-17(19-21-15(2)22-26-19)20(13-23)7-9-25-10-8-20/h3-6,17H,7-13H2,1-2H3.
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]-2-(4-methylphenyl)ethanone?
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 355.44 g/mol, XLogP of 2.65, 3 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]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 71836236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).