1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]ethanamine;hydrochloride

C18H26ClN3O — CID 119925586

IUPAC1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCc1ccc(-c2nc(CN3CCCC(C(C)N)C3)co2)cc1.Cl
InChIInChI=1S/C18H25N3O.ClH/c1-13-5-7-15(8-6-13)18-20-17(12-22-18)11-21-9-3-4-16(10-21)14(2)19;/h5-8,12,14,16H,3-4,9-11,19H2,1-2H3;1H
InChIKeyIKDCGFXYJUKWCR-UHFFFAOYSA-N
MW335.88 g/mol
LogP3.63
Rot. Bonds4

About 1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]ethanamine;hydrochloride

1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 119925586) has the molecular formula C18H26ClN3O and a molecular weight of 335.88 g/mol. Its IUPAC name is 1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]ethanamine;hydrochloride
PubChem CID119925586
Molecular FormulaC18H26ClN3O
Molecular Weight335.88 g/mol
Exact Mass335.18
IUPAC Name1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCc1ccc(-c2nc(CN3CCCC(C(C)N)C3)co2)cc1.Cl
InChIInChI=1S/C18H25N3O.ClH/c1-13-5-7-15(8-6-13)18-20-17(12-22-18)11-21-9-3-4-16(10-21)14(2)19;/h5-8,12,14,16H,3-4,9-11,19H2,1-2H3;1H
InChIKeyIKDCGFXYJUKWCR-UHFFFAOYSA-N
XLogP3.63
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]ethanamine;hydrochloride 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

4-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 56662511
1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911451
1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol
CID 55169599
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-3-amine
CID 62547236
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethanone;hydrochloride
CID 119596276
[(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 79028438
1-[1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-N-methylmethanamine
CID 119914648
1-[1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]ethanamine
CID 119920593
(3R)-N-[(2R)-butan-2-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 95153578
(3R)-N-[(2S)-butan-2-yl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 95153579
(3S)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933954
(3S,4R)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
CID 120761019

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]ethanamine;hydrochloride (CID 119925586) is 1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]ethanamine;hydrochloride is Cc1ccc(-c2nc(CN3CCCC(C(C)N)C3)co2)cc1.Cl.
What is the InChIKey of 1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is IKDCGFXYJUKWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O.ClH/c1-13-5-7-15(8-6-13)18-20-17(12-22-18)11-21-9-3-4-16(10-21)14(2)19;/h5-8,12,14,16H,3-4,9-11,19H2,1-2H3;1H.
What are the key properties of 1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]ethanamine;hydrochloride?
1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 335.88 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119925586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).