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

C16H22ClN3O — CID 119916281

IUPAC[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C16H21N3O.ClH/c17-10-15-8-4-5-9-19(15)11-14-12-20-16(18-14)13-6-2-1-3-7-13;/h1-3,6-7,12,15H,4-5,8-11,17H2;1H
InChIKeyDIPBONLZIBMFCZ-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.08
Rot. Bonds4

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

[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride (PubChem CID 119916281) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is [1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
PubChem CID119916281
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C16H21N3O.ClH/c17-10-15-8-4-5-9-19(15)11-14-12-20-16(18-14)13-6-2-1-3-7-13;/h1-3,6-7,12,15H,4-5,8-11,17H2;1H
InChIKeyDIPBONLZIBMFCZ-UHFFFAOYSA-N
XLogP3.08
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119926244
1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911451
4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 86953301
4-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 74249790
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
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylmethyl)-2-phenyl-1,3-oxazole
CID 102681708
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride
CID 119634555
(3S)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933954
4-[(2-methylpiperidin-1-yl)methyl]-2-(4-pyridin-3-ylphenyl)-1,3-oxazole
CID 11537304
[(2S)-1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 95719321
2-[(2S)-1-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-2-yl]acetamide
CID 95160386

Frequently Asked Questions

What is the IUPAC name of [1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride (CID 119916281) is [1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCCN1Cc1coc(-c2ccccc2)n1.
What is the InChIKey of [1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The InChIKey is DIPBONLZIBMFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O.ClH/c17-10-15-8-4-5-9-19(15)11-14-12-20-16(18-14)13-6-2-1-3-7-13;/h1-3,6-7,12,15H,4-5,8-11,17H2;1H.
What are the key properties of [1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride?
[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride has a molecular weight of 307.82 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119916281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).