2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide;hydrochloride

C16H20ClN3O2 — CID 119581065

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide;hydrochloride
SMILESCc1noc(C)c1CC(=O)Nc1ccc2c(c1)CNCC2.Cl
InChIInChI=1S/C16H19N3O2.ClH/c1-10-15(11(2)21-19-10)8-16(20)18-14-4-3-12-5-6-17-9-13(12)7-14;/h3-4,7,17H,5-6,8-9H2,1-2H3,(H,18,20);1H
InChIKeyJIGVQMFLMYCEER-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.54
Rot. Bonds3

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide;hydrochloride

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide;hydrochloride (PubChem CID 119581065) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide;hydrochloride
PubChem CID119581065
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide;hydrochloride
SMILESCc1noc(C)c1CC(=O)Nc1ccc2c(c1)CNCC2.Cl
InChIInChI=1S/C16H19N3O2.ClH/c1-10-15(11(2)21-19-10)8-16(20)18-14-4-3-12-5-6-17-9-13(12)7-14;/h3-4,7,17H,5-6,8-9H2,1-2H3,(H,18,20);1H
InChIKeyJIGVQMFLMYCEER-UHFFFAOYSA-N
XLogP2.54
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide;hydrochloride with MolForge

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
CID 120882325
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]acetamide
CID 164641742
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride
CID 119581069
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride
CID 119581054
3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide
CID 166298523
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide
CID 63901115
N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 17425777
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 47044065
ethyl 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoate
CID 17488167
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide
CID 119581012
N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 131952793
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131901818

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide;hydrochloride?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide;hydrochloride (CID 119581065) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide;hydrochloride is Cc1noc(C)c1CC(=O)Nc1ccc2c(c1)CNCC2.Cl.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide;hydrochloride?
The InChIKey is JIGVQMFLMYCEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2.ClH/c1-10-15(11(2)21-19-10)8-16(20)18-14-4-3-12-5-6-17-9-13(12)7-14;/h3-4,7,17H,5-6,8-9H2,1-2H3,(H,18,20);1H.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide;hydrochloride?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide;hydrochloride has a molecular weight of 321.81 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide;hydrochloride is sourced from PubChem (CID 119581065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).