1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone

C16H26N4O3 — CID 131691645

IUPAC1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone
SMILESCc1noc(CC(=O)N2CCC3(CC2)CC(N(C)C)CCO3)n1
InChIInChI=1S/C16H26N4O3/c1-12-17-14(23-18-12)10-15(21)20-7-5-16(6-8-20)11-13(19(2)3)4-9-22-16/h13H,4-11H2,1-3H3
InChIKeyYAWSCFJPMSBFPH-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.02
Rot. Bonds3

About 1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone

1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone (PubChem CID 131691645) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone
PubChem CID131691645
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone
SMILESCc1noc(CC(=O)N2CCC3(CC2)CC(N(C)C)CCO3)n1
InChIInChI=1S/C16H26N4O3/c1-12-17-14(23-18-12)10-15(21)20-7-5-16(6-8-20)11-13(19(2)3)4-9-22-16/h13H,4-11H2,1-3H3
InChIKeyYAWSCFJPMSBFPH-UHFFFAOYSA-N
XLogP1.02
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]piperidine-4-carboxamide
CID 110677365
1,1-dimethyl-3-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-6-azaspiro[3.4]octan-2-yl]urea
CID 155870312
1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-fluorophenyl)ethanone;2,2,2-trifluoroacetic acid
CID 155865264
N-cyclobutyl-8-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131696832
4-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]benzonitrile
CID 133139578
[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone
CID 131691635
[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone
CID 131648665
2-(2,5-difluorophenoxy)-1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 131696926
4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919087
N-cyclopropyl-N-[9-[2-(3-methylphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
CID 91919914
N-cyclopropyl-N-[9-(2-thiophen-3-ylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide
CID 91919875
(5R,9R)-2-[(2,5-dimethylphenyl)methyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine;2,2,2-trifluoroacetic acid
CID 155847661

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone?
The IUPAC name of 1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone (CID 131691645) is 1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone.
What is the SMILES notation for 1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone?
The canonical SMILES for 1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone is Cc1noc(CC(=O)N2CCC3(CC2)CC(N(C)C)CCO3)n1.
What is the InChIKey of 1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone?
The InChIKey is YAWSCFJPMSBFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-12-17-14(23-18-12)10-15(21)20-7-5-16(6-8-20)11-13(19(2)3)4-9-22-16/h13H,4-11H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone?
1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone has a molecular weight of 322.41 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone is sourced from PubChem (CID 131691645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).