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

C17H24ClN3O — CID 119926244

IUPAC[3-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCC1CCCN(Cc2coc(-c3ccccc3)n2)C1CN.Cl
InChIInChI=1S/C17H23N3O.ClH/c1-13-6-5-9-20(16(13)10-18)11-15-12-21-17(19-15)14-7-3-2-4-8-14;/h2-4,7-8,12-13,16H,5-6,9-11,18H2,1H3;1H
InChIKeyKPOKZJMDUQLEIR-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.32
Rot. Bonds4

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

[3-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride (PubChem CID 119926244) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is [3-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
PubChem CID119926244
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name[3-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCC1CCCN(Cc2coc(-c3ccccc3)n2)C1CN.Cl
InChIInChI=1S/C17H23N3O.ClH/c1-13-6-5-9-20(16(13)10-18)11-15-12-21-17(19-15)14-7-3-2-4-8-14;/h2-4,7-8,12-13,16H,5-6,9-11,18H2,1H3;1H
InChIKeyKPOKZJMDUQLEIR-UHFFFAOYSA-N
XLogP3.32
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916281
4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 86953301
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylmethyl)-2-phenyl-1,3-oxazole
CID 102681708
4-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 74249790
[3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine
CID 115527232
(3S)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933954
[3-methyl-1-(3-phenoxypropyl)piperidin-2-yl]methanamine
CID 62935912
4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-2-[4-[(2-phenylbenzimidazol-1-yl)methyl]phenyl]-1,3-oxazole
CID 25204772
[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-2-yl]methanamine
CID 119926025
4-[(2-benzylpyrrolidin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole
CID 47025430
[(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 79028438
[3-methyl-1-[(1-phenylimidazol-2-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120841155

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [3-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride (CID 119926244) is [3-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [3-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride is CC1CCCN(Cc2coc(-c3ccccc3)n2)C1CN.Cl.
What is the InChIKey of [3-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The InChIKey is KPOKZJMDUQLEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.ClH/c1-13-6-5-9-20(16(13)10-18)11-15-12-21-17(19-15)14-7-3-2-4-8-14;/h2-4,7-8,12-13,16H,5-6,9-11,18H2,1H3;1H.
What are the key properties of [3-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride?
[3-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride has a molecular weight of 321.85 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119926244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).