1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one

C23H29N3O3 — CID 162629688

IUPAC1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1noc(C)c1CC(=O)N1CCCC12CCCN(CCc1ccccc1)C2=O
InChIInChI=1S/C23H29N3O3/c1-17-20(18(2)29-24-17)16-21(27)26-14-7-12-23(26)11-6-13-25(22(23)28)15-10-19-8-4-3-5-9-19/h3-5,8-9H,6-7,10-16H2,1-2H3
InChIKeyBOAOXDBHHBVBKN-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.06
Rot. Bonds5

About 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one

1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162629688) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162629688
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1noc(C)c1CC(=O)N1CCCC12CCCN(CCc1ccccc1)C2=O
InChIInChI=1S/C23H29N3O3/c1-17-20(18(2)29-24-17)16-21(27)26-14-7-12-23(26)11-6-13-25(22(23)28)15-10-19-8-4-3-5-9-19/h3-5,8-9H,6-7,10-16H2,1-2H3
InChIKeyBOAOXDBHHBVBKN-UHFFFAOYSA-N
XLogP3.06
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 56710980
1-[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163316192
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162633641
1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162638324
1-(2-cyclopentylacetyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162628512
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83075805
1-(1H-imidazole-5-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162633803
9-(2-phenylethyl)-1-(1H-pyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163308559
(2S)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 125004065
1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 154741195
9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 157019313
1-(3-methyl-1,2-oxazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162634313

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162629688) is 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one is Cc1noc(C)c1CC(=O)N1CCCC12CCCN(CCc1ccccc1)C2=O.
What is the InChIKey of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is BOAOXDBHHBVBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17-20(18(2)29-24-17)16-21(27)26-14-7-12-23(26)11-6-13-25(22(23)28)15-10-19-8-4-3-5-9-19/h3-5,8-9H,6-7,10-16H2,1-2H3.
What are the key properties of 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one?
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 395.50 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162629688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).