1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one

C21H27N3O2 — CID 162629044

IUPAC1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCCc1cc(CN2CCCC23CCCN(c2ccc(C)cc2)C3=O)on1
InChIInChI=1S/C21H27N3O2/c1-3-17-14-19(26-22-17)15-23-12-4-10-21(23)11-5-13-24(20(21)25)18-8-6-16(2)7-9-18/h6-9,14H,3-5,10-13,15H2,1-2H3
InChIKeyCFQIVONOGWZHIT-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.71
Rot. Bonds4

About 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one

1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162629044) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162629044
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCCc1cc(CN2CCCC23CCCN(c2ccc(C)cc2)C3=O)on1
InChIInChI=1S/C21H27N3O2/c1-3-17-14-19(26-22-17)15-23-12-4-10-21(23)11-5-13-24(20(21)25)18-8-6-16(2)7-9-18/h6-9,14H,3-5,10-13,15H2,1-2H3
InChIKeyCFQIVONOGWZHIT-UHFFFAOYSA-N
XLogP3.71
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-hydroxyphenyl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627322
1-(2-methoxyethyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627312
2-methyl-7-[[9-(4-methylphenyl)-10-oxo-1,9-diazaspiro[4.5]decan-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 162636373
1-[2-(3-methoxyphenoxy)ethyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629767
9-methyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162628944
1-(2,4-difluorobenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162630087
9-benzyl-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163317627
9-(4-methylphenyl)-1-[3-(tetrazol-1-yl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162634523
9-(4-methylphenyl)-1-(3-pyridin-4-ylpropanoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162626908
9-cyclopropyl-1-[(5-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162628253
1-(2-fluoro-4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163319262
1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638072

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162629044) is 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one is CCc1cc(CN2CCCC23CCCN(c2ccc(C)cc2)C3=O)on1.
What is the InChIKey of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is CFQIVONOGWZHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-17-14-19(26-22-17)15-23-12-4-10-21(23)11-5-13-24(20(21)25)18-8-6-16(2)7-9-18/h6-9,14H,3-5,10-13,15H2,1-2H3.
What are the key properties of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 353.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162629044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).