4-[[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

C16H24N4O — CID 70776727

IUPAC4-[[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CCCCC1CCn1ccnc1
InChIInChI=1S/C16H24N4O/c1-13-16(14(2)21-18-13)11-20-8-4-3-5-15(20)6-9-19-10-7-17-12-19/h7,10,12,15H,3-6,8-9,11H2,1-2H3
InChIKeyARFMLPJDRATESS-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.93
Rot. Bonds5

About 4-[[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 70776727) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID70776727
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-[[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CCCCC1CCn1ccnc1
InChIInChI=1S/C16H24N4O/c1-13-16(14(2)21-18-13)11-20-8-4-3-5-15(20)6-9-19-10-7-17-12-19/h7,10,12,15H,3-6,8-9,11H2,1-2H3
InChIKeyARFMLPJDRATESS-UHFFFAOYSA-N
XLogP2.93
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole 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

(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 125441252
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916117
5-[[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 42509063
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926475
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 63847662
2-(2-imidazol-1-ylethyl)-1-(2-phenoxyethyl)piperidine
CID 23202756
3-[(2-chlorophenyl)methyl]-5-[[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95200978
4-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 95292974
1-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 70730119
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 28833138
N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-4-imidazol-1-ylbutanamide
CID 118789250
3,5-dimethyl-4-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole
CID 63256393

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 70776727) is 4-[[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CN1CCCCC1CCn1ccnc1.
What is the InChIKey of 4-[[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is ARFMLPJDRATESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13-16(14(2)21-18-13)11-20-8-4-3-5-15(20)6-9-19-10-7-17-12-19/h7,10,12,15H,3-6,8-9,11H2,1-2H3.
What are the key properties of 4-[[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 288.39 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 70776727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).