7-(2,2-dimethylpropyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C18H27N3O3 — CID 45229489

IUPAC7-(2,2-dimethylpropyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ocnc1C(=O)N1CCC2(CCCN(CC(C)(C)C)C2=O)C1
InChIInChI=1S/C18H27N3O3/c1-13-14(19-12-24-13)15(22)20-9-7-18(11-20)6-5-8-21(16(18)23)10-17(2,3)4/h12H,5-11H2,1-4H3
InChIKeyISZFPZSFCVQKCT-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.48
Rot. Bonds2

About 7-(2,2-dimethylpropyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-(2,2-dimethylpropyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45229489) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2,2-dimethylpropyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45229489
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name7-(2,2-dimethylpropyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ocnc1C(=O)N1CCC2(CCCN(CC(C)(C)C)C2=O)C1
InChIInChI=1S/C18H27N3O3/c1-13-14(19-12-24-13)15(22)20-9-7-18(11-20)6-5-8-21(16(18)23)10-17(2,3)4/h12H,5-11H2,1-4H3
InChIKeyISZFPZSFCVQKCT-UHFFFAOYSA-N
XLogP2.48
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(2,2-dimethylpropyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

(5R)-7-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25294122
(5R)-7-(2,2-dimethylpropyl)-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25384072
(5S)-2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25305777
2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45220872
2-(4-methyl-1,3-oxazole-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45179648
(5S)-7-(2,2-dimethylpropyl)-2-[2-(4-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25384367
5-methyl-1'-(5-methyl-1,3-oxazole-4-carbonyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,3'-piperidine]-6-one
CID 133069735
(5S)-7-(2,2-dimethylpropyl)-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42244220
8-(5-methyl-1,3-oxazole-4-carbonyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97188197
2-(4-chloro-1-methylpyrazole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72910141
2-(3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72926033
(5S)-2-(3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97149486

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2,2-dimethylpropyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45229489) is 7-(2,2-dimethylpropyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2,2-dimethylpropyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2,2-dimethylpropyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1ocnc1C(=O)N1CCC2(CCCN(CC(C)(C)C)C2=O)C1.
What is the InChIKey of 7-(2,2-dimethylpropyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ISZFPZSFCVQKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13-14(19-12-24-13)15(22)20-9-7-18(11-20)6-5-8-21(16(18)23)10-17(2,3)4/h12H,5-11H2,1-4H3.
What are the key properties of 7-(2,2-dimethylpropyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(2,2-dimethylpropyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 333.43 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45229489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).