ethyl 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-[[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate

C25H32N4O3 — CID 95853614

IUPACethyl 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-[[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2cc(-c3cccc(C)c3)no2)CCN(Cc2cnc(C)n2C)CC1
InChIInChI=1S/C25H32N4O3/c1-5-31-24(30)25(9-11-29(12-10-25)17-21-16-26-19(3)28(21)4)15-22-14-23(27-32-22)20-8-6-7-18(2)13-20/h6-8,13-14,16H,5,9-12,15,17H2,1-4H3
InChIKeyNPGDSPSJKOJMKP-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.08
Rot. Bonds7

About ethyl 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-[[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate

ethyl 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-[[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate (PubChem CID 95853614) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is ethyl 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-[[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-[[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate
PubChem CID95853614
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Nameethyl 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-[[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2cc(-c3cccc(C)c3)no2)CCN(Cc2cnc(C)n2C)CC1
InChIInChI=1S/C25H32N4O3/c1-5-31-24(30)25(9-11-29(12-10-25)17-21-16-26-19(3)28(21)4)15-22-14-23(27-32-22)20-8-6-7-18(2)13-20/h6-8,13-14,16H,5,9-12,15,17H2,1-4H3
InChIKeyNPGDSPSJKOJMKP-UHFFFAOYSA-N
XLogP4.08
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-[[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate 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 ethyl 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-[[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-[[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate (CID 95853614) is ethyl 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-[[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-[[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-[[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1(Cc2cc(-c3cccc(C)c3)no2)CCN(Cc2cnc(C)n2C)CC1.
What is the InChIKey of ethyl 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-[[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate?
The InChIKey is NPGDSPSJKOJMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-5-31-24(30)25(9-11-29(12-10-25)17-21-16-26-19(3)28(21)4)15-22-14-23(27-32-22)20-8-6-7-18(2)13-20/h6-8,13-14,16H,5,9-12,15,17H2,1-4H3.
What are the key properties of ethyl 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-[[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate?
ethyl 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-[[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate has a molecular weight of 436.56 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-[[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 95853614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).