9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-phenyl-3,9-diazaspiro[5.5]undecane-3-carboxamide

C22H28N4O3 — CID 3235382

IUPAC9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-phenyl-3,9-diazaspiro[5.5]undecane-3-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCC2(CCN(C(=O)Nc3ccccc3)CC2)CC1
InChIInChI=1S/C22H28N4O3/c1-16-19(17(2)29-24-16)20(27)25-12-8-22(9-13-25)10-14-26(15-11-22)21(28)23-18-6-4-3-5-7-18/h3-7H,8-15H2,1-2H3,(H,23,28)
InChIKeyIAXGGXRQNFKKPR-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.84
Rot. Bonds2

About 9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-phenyl-3,9-diazaspiro[5.5]undecane-3-carboxamide

9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-phenyl-3,9-diazaspiro[5.5]undecane-3-carboxamide (PubChem CID 3235382) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-phenyl-3,9-diazaspiro[5.5]undecane-3-carboxamide.

Molecular Properties

Compound Name9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-phenyl-3,9-diazaspiro[5.5]undecane-3-carboxamide
PubChem CID3235382
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-phenyl-3,9-diazaspiro[5.5]undecane-3-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCC2(CCN(C(=O)Nc3ccccc3)CC2)CC1
InChIInChI=1S/C22H28N4O3/c1-16-19(17(2)29-24-16)20(27)25-12-8-22(9-13-25)10-14-26(15-11-22)21(28)23-18-6-4-3-5-7-18/h3-7H,8-15H2,1-2H3,(H,23,28)
InChIKeyIAXGGXRQNFKKPR-UHFFFAOYSA-N
XLogP3.84
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-phenyl-3,9-diazaspiro[5.5]undecane-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-phenyl-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The IUPAC name of 9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-phenyl-3,9-diazaspiro[5.5]undecane-3-carboxamide (CID 3235382) is 9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-phenyl-3,9-diazaspiro[5.5]undecane-3-carboxamide.
What is the SMILES notation for 9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-phenyl-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The canonical SMILES for 9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-phenyl-3,9-diazaspiro[5.5]undecane-3-carboxamide is Cc1noc(C)c1C(=O)N1CCC2(CCN(C(=O)Nc3ccccc3)CC2)CC1.
What is the InChIKey of 9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-phenyl-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The InChIKey is IAXGGXRQNFKKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-16-19(17(2)29-24-16)20(27)25-12-8-22(9-13-25)10-14-26(15-11-22)21(28)23-18-6-4-3-5-7-18/h3-7H,8-15H2,1-2H3,(H,23,28).
What are the key properties of 9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-phenyl-3,9-diazaspiro[5.5]undecane-3-carboxamide?
9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-phenyl-3,9-diazaspiro[5.5]undecane-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-phenyl-3,9-diazaspiro[5.5]undecane-3-carboxamide is sourced from PubChem (CID 3235382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).