2-butyl-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C20H31N3O3 — CID 70755554

IUPAC2-butyl-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCCN1CC2(CCCN(C(=O)c3cc(C(C)C)on3)C2)CCC1=O
InChIInChI=1S/C20H31N3O3/c1-4-5-10-22-13-20(9-7-18(22)24)8-6-11-23(14-20)19(25)16-12-17(15(2)3)26-21-16/h12,15H,4-11,13-14H2,1-3H3
InChIKeyHVYZCFSCXZSDRN-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.44
Rot. Bonds5

About 2-butyl-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

2-butyl-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70755554) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-butyl-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-butyl-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70755554
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name2-butyl-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCCN1CC2(CCCN(C(=O)c3cc(C(C)C)on3)C2)CCC1=O
InChIInChI=1S/C20H31N3O3/c1-4-5-10-22-13-20(9-7-18(22)24)8-6-11-23(14-20)19(25)16-12-17(15(2)3)26-21-16/h12,15H,4-11,13-14H2,1-3H3
InChIKeyHVYZCFSCXZSDRN-UHFFFAOYSA-N
XLogP3.44
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-butyl-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

2-butyl-8-(5-propyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70735392
2-butyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70713127
8-(5-ethyl-1H-pyrazole-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70746303
2-butyl-8-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72902306
2-butyl-8-[3-(5-methyltetrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70740209
(6R)-2-butyl-8-(4-morpholin-4-ylbutanoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97113092
2-butyl-8-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72936910
2-(3-methoxypropyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70754929
1-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 72933840
(6R)-8-[1-(difluoromethyl)pyrazole-3-carbonyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97129346
8-[1-(difluoromethyl)pyrazole-3-carbonyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72882889
8-(4,6-dimethylpyridine-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70712179

Frequently Asked Questions

What is the IUPAC name of 2-butyl-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-butyl-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70755554) is 2-butyl-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-butyl-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-butyl-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is CCCCN1CC2(CCCN(C(=O)c3cc(C(C)C)on3)C2)CCC1=O.
What is the InChIKey of 2-butyl-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is HVYZCFSCXZSDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-4-5-10-22-13-20(9-7-18(22)24)8-6-11-23(14-20)19(25)16-12-17(15(2)3)26-21-16/h12,15H,4-11,13-14H2,1-3H3.
What are the key properties of 2-butyl-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-butyl-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 361.49 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70755554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).