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

C20H31N3O3 — CID 70735392

IUPAC2-butyl-8-(5-propyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCCN1CC2(CCCN(C(=O)c3cc(CCC)on3)C2)CCC1=O
InChIInChI=1S/C20H31N3O3/c1-3-5-11-22-14-20(10-8-18(22)24)9-6-12-23(15-20)19(25)17-13-16(7-4-2)26-21-17/h13H,3-12,14-15H2,1-2H3
InChIKeyFCBUTMQBXNKNRM-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.27
Rot. Bonds6

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

2-butyl-8-(5-propyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70735392) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-butyl-8-(5-propyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-butyl-8-(5-propyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70735392
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name2-butyl-8-(5-propyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCCN1CC2(CCCN(C(=O)c3cc(CCC)on3)C2)CCC1=O
InChIInChI=1S/C20H31N3O3/c1-3-5-11-22-14-20(10-8-18(22)24)9-6-12-23(15-20)19(25)17-13-16(7-4-2)26-21-17/h13H,3-12,14-15H2,1-2H3
InChIKeyFCBUTMQBXNKNRM-UHFFFAOYSA-N
XLogP3.27
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-butyl-8-(5-propyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-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

2-butyl-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70755554
2-butyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70713127
2-butyl-8-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72902306
(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
(6S)-8-(3-ethyl-1,2-oxazole-5-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97109967
2-butyl-8-[3-(5-methyltetrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70740209
8-(5-ethyl-1H-pyrazole-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70746303
(6R)-8-(4-hydroxybenzoyl)-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96579498
(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97115484
8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72921446

Frequently Asked Questions

What is the IUPAC name of 2-butyl-8-(5-propyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-butyl-8-(5-propyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70735392) is 2-butyl-8-(5-propyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-butyl-8-(5-propyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-butyl-8-(5-propyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is CCCCN1CC2(CCCN(C(=O)c3cc(CCC)on3)C2)CCC1=O.
What is the InChIKey of 2-butyl-8-(5-propyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is FCBUTMQBXNKNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-3-5-11-22-14-20(10-8-18(22)24)9-6-12-23(15-20)19(25)17-13-16(7-4-2)26-21-17/h13H,3-12,14-15H2,1-2H3.
What are the key properties of 2-butyl-8-(5-propyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-butyl-8-(5-propyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 361.49 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-8-(5-propyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70735392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).