2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[ethyl(methyl)amino]-1-azaspiro[4.5]decan-1-yl]ethanone

C19H31N3O2 — CID 110130824

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[ethyl(methyl)amino]-1-azaspiro[4.5]decan-1-yl]ethanone
SMILESCCN(C)C1CN(C(=O)Cc2c(C)noc2C)C2(CCCCC2)C1
InChIInChI=1S/C19H31N3O2/c1-5-21(4)16-12-19(9-7-6-8-10-19)22(13-16)18(23)11-17-14(2)20-24-15(17)3/h16H,5-13H2,1-4H3
InChIKeyHVQJFNRZMNOEGT-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.09
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[ethyl(methyl)amino]-1-azaspiro[4.5]decan-1-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[ethyl(methyl)amino]-1-azaspiro[4.5]decan-1-yl]ethanone (PubChem CID 110130824) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[ethyl(methyl)amino]-1-azaspiro[4.5]decan-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[ethyl(methyl)amino]-1-azaspiro[4.5]decan-1-yl]ethanone
PubChem CID110130824
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[ethyl(methyl)amino]-1-azaspiro[4.5]decan-1-yl]ethanone
SMILESCCN(C)C1CN(C(=O)Cc2c(C)noc2C)C2(CCCCC2)C1
InChIInChI=1S/C19H31N3O2/c1-5-21(4)16-12-19(9-7-6-8-10-19)22(13-16)18(23)11-17-14(2)20-24-15(17)3/h16H,5-13H2,1-4H3
InChIKeyHVQJFNRZMNOEGT-UHFFFAOYSA-N
XLogP3.09
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83075805
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CID 52551442
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-ethylsulfonylazetidin-1-yl)ethanone
CID 121164442
(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 78996821
N-ethyl-N-[1-(2-phenylacetyl)-1-azaspiro[4.5]decan-3-yl]acetamide
CID 155983948
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 51075305
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102634876
1-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide
CID 115437572
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162633641
2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azetidin-3-yl]propanoic acid
CID 116681238
(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 95020300
1-[(2S,3aS,9aS)-4-acetyl-3a-methyl-2-phenyl-2,3,5,6,7,8,9,9a-octahydropyrrolo[3,2-b]azocin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 110137373

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[ethyl(methyl)amino]-1-azaspiro[4.5]decan-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[ethyl(methyl)amino]-1-azaspiro[4.5]decan-1-yl]ethanone (CID 110130824) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[ethyl(methyl)amino]-1-azaspiro[4.5]decan-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[ethyl(methyl)amino]-1-azaspiro[4.5]decan-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[ethyl(methyl)amino]-1-azaspiro[4.5]decan-1-yl]ethanone is CCN(C)C1CN(C(=O)Cc2c(C)noc2C)C2(CCCCC2)C1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[ethyl(methyl)amino]-1-azaspiro[4.5]decan-1-yl]ethanone?
The InChIKey is HVQJFNRZMNOEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-5-21(4)16-12-19(9-7-6-8-10-19)22(13-16)18(23)11-17-14(2)20-24-15(17)3/h16H,5-13H2,1-4H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[ethyl(methyl)amino]-1-azaspiro[4.5]decan-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[ethyl(methyl)amino]-1-azaspiro[4.5]decan-1-yl]ethanone has a molecular weight of 333.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[ethyl(methyl)amino]-1-azaspiro[4.5]decan-1-yl]ethanone is sourced from PubChem (CID 110130824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).