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

C16H25N3O3 — CID 71687166

IUPAC3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]butan-1-one
SMILESCc1noc(C2CN(C(=O)CC(C)C)CC23CCOCC3)n1
InChIInChI=1S/C16H25N3O3/c1-11(2)8-14(20)19-9-13(15-17-12(3)18-22-15)16(10-19)4-6-21-7-5-16/h11,13H,4-10H2,1-3H3
InChIKeyPEYLQJZOIMCLEG-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.15
Rot. Bonds3

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

3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]butan-1-one (PubChem CID 71687166) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]butan-1-one
PubChem CID71687166
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]butan-1-one
SMILESCc1noc(C2CN(C(=O)CC(C)C)CC23CCOCC3)n1
InChIInChI=1S/C16H25N3O3/c1-11(2)8-14(20)19-9-13(15-17-12(3)18-22-15)16(10-19)4-6-21-7-5-16/h11,13H,4-10H2,1-3H3
InChIKeyPEYLQJZOIMCLEG-UHFFFAOYSA-N
XLogP2.15
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]butan-1-one (CID 71687166) is 3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]butan-1-one is Cc1noc(C2CN(C(=O)CC(C)C)CC23CCOCC3)n1.
What is the InChIKey of 3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]butan-1-one?
The InChIKey is PEYLQJZOIMCLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11(2)8-14(20)19-9-13(15-17-12(3)18-22-15)16(10-19)4-6-21-7-5-16/h11,13H,4-10H2,1-3H3.
What are the key properties of 3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]butan-1-one?
3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]butan-1-one has a molecular weight of 307.39 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]butan-1-one is sourced from PubChem (CID 71687166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).