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

C20H31N3O3 — CID 45218508

IUPAC7-(2,2-dimethylpropyl)-2-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1noc(C)c1C(=O)N1CCC2(CCCN(CC(C)(C)C)C2=O)C1
InChIInChI=1S/C20H31N3O3/c1-6-15-16(14(2)26-21-15)17(24)22-11-9-20(13-22)8-7-10-23(18(20)25)12-19(3,4)5/h6-13H2,1-5H3
InChIKeyIOEPFJCISXZXRV-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.05
Rot. Bonds3

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

7-(2,2-dimethylpropyl)-2-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45218508) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)-2-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2,2-dimethylpropyl)-2-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45218508
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name7-(2,2-dimethylpropyl)-2-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1noc(C)c1C(=O)N1CCC2(CCCN(CC(C)(C)C)C2=O)C1
InChIInChI=1S/C20H31N3O3/c1-6-15-16(14(2)26-21-15)17(24)22-11-9-20(13-22)8-7-10-23(18(20)25)12-19(3,4)5/h6-13H2,1-5H3
InChIKeyIOEPFJCISXZXRV-UHFFFAOYSA-N
XLogP3.05
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropyl)-2-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2,2-dimethylpropyl)-2-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45218508) is 7-(2,2-dimethylpropyl)-2-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2,2-dimethylpropyl)-2-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2,2-dimethylpropyl)-2-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CCc1noc(C)c1C(=O)N1CCC2(CCCN(CC(C)(C)C)C2=O)C1.
What is the InChIKey of 7-(2,2-dimethylpropyl)-2-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is IOEPFJCISXZXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-6-15-16(14(2)26-21-15)17(24)22-11-9-20(13-22)8-7-10-23(18(20)25)12-19(3,4)5/h6-13H2,1-5H3.
What are the key properties of 7-(2,2-dimethylpropyl)-2-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(2,2-dimethylpropyl)-2-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 361.49 g/mol, XLogP of 3.05, 3 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-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45218508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).