(5-methyl-1,2-oxazol-3-yl)-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone

C21H25N3O2 — CID 23851756

IUPAC(5-methyl-1,2-oxazol-3-yl)-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
SMILESC=CCN1CCC2(CC1)CN(C(=O)c1cc(C)on1)c1ccc(C)cc12
InChIInChI=1S/C21H25N3O2/c1-4-9-23-10-7-21(8-11-23)14-24(19-6-5-15(2)12-17(19)21)20(25)18-13-16(3)26-22-18/h4-6,12-13H,1,7-11,14H2,2-3H3
InChIKeyYCTWRUTZAPLSCV-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.47
Rot. Bonds3

About (5-methyl-1,2-oxazol-3-yl)-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone

(5-methyl-1,2-oxazol-3-yl)-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone (PubChem CID 23851756) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
PubChem CID23851756
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
SMILESC=CCN1CCC2(CC1)CN(C(=O)c1cc(C)on1)c1ccc(C)cc12
InChIInChI=1S/C21H25N3O2/c1-4-9-23-10-7-21(8-11-23)14-24(19-6-5-15(2)12-17(19)21)20(25)18-13-16(3)26-22-18/h4-6,12-13H,1,7-11,14H2,2-3H3
InChIKeyYCTWRUTZAPLSCV-UHFFFAOYSA-N
XLogP3.47
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5-methyl-1,2-oxazol-3-yl)-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone 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-(4-chlorophenyl)-1-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone
CID 23961254
(4-fluorophenyl)-(5-methoxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 23826544
1-[5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-2-thiophen-2-ylethanone
CID 23961555
(3,5-dimethyl-1,2-oxazol-4-yl)-[5-fluoro-1'-[(4-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 23935569
(5-fluoro-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 59004060
N-ethyl-5-methyl-1'-(3-phenylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23903479
N-ethyl-5-methyl-1'-(2-methylprop-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23737880
(2-chloro-4H-azepin-5-yl)-[1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-methylspiro[2H-indole-3,4'-piperidine]-1-yl]methanone;ethane
CID 142841860
cyclohexyl-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 11151925
(2,3-difluorophenyl)-(1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 59004170
N-(3-fluorophenyl)-5-methyl-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23740559
(3-bromophenyl)-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 23767030

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone (CID 23851756) is (5-methyl-1,2-oxazol-3-yl)-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone is C=CCN1CCC2(CC1)CN(C(=O)c1cc(C)on1)c1ccc(C)cc12.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The InChIKey is YCTWRUTZAPLSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-4-9-23-10-7-21(8-11-23)14-24(19-6-5-15(2)12-17(19)21)20(25)18-13-16(3)26-22-18/h4-6,12-13H,1,7-11,14H2,2-3H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
(5-methyl-1,2-oxazol-3-yl)-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone has a molecular weight of 351.45 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-(5-methyl-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone is sourced from PubChem (CID 23851756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).