2-(3,5-diethyl-1,2-oxazol-4-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide

C18H22FN3O2 — CID 120883036

IUPAC2-(3,5-diethyl-1,2-oxazol-4-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
SMILESCCc1noc(CC)c1CC(=O)Nc1ccc2c(c1F)CCNC2
InChIInChI=1S/C18H22FN3O2/c1-3-14-13(16(4-2)24-22-14)9-17(23)21-15-6-5-11-10-20-8-7-12(11)18(15)19/h5-6,20H,3-4,7-10H2,1-2H3,(H,21,23)
InChIKeyJZBDWRYAIZUYBS-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.77
Rot. Bonds5

About 2-(3,5-diethyl-1,2-oxazol-4-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide

2-(3,5-diethyl-1,2-oxazol-4-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide (PubChem CID 120883036) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-(3,5-diethyl-1,2-oxazol-4-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-diethyl-1,2-oxazol-4-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
PubChem CID120883036
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name2-(3,5-diethyl-1,2-oxazol-4-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
SMILESCCc1noc(CC)c1CC(=O)Nc1ccc2c(c1F)CCNC2
InChIInChI=1S/C18H22FN3O2/c1-3-14-13(16(4-2)24-22-14)9-17(23)21-15-6-5-11-10-20-8-7-12(11)18(15)19/h5-6,20H,3-4,7-10H2,1-2H3,(H,21,23)
InChIKeyJZBDWRYAIZUYBS-UHFFFAOYSA-N
XLogP2.77
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-diethyl-1,2-oxazol-4-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide 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-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
CID 120881289
2-(4-ethylpiperazin-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 120883660
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-pyrazol-1-ylacetamide
CID 120882854
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylsulfonylacetamide;hydrochloride
CID 120884179
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(methylsulfamoyl)acetamide;hydrochloride
CID 120881417
2-[ethylsulfonyl(methyl)amino]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 120882028
2-(2-ethoxyethoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide;hydrochloride
CID 120883699
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 120881649
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-N',N'-dipropylbutanediamide
CID 120883280
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]acetamide;hydrochloride
CID 120883113
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-propan-2-yloxypropanamide
CID 120883744

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethyl-1,2-oxazol-4-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide?
The IUPAC name of 2-(3,5-diethyl-1,2-oxazol-4-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide (CID 120883036) is 2-(3,5-diethyl-1,2-oxazol-4-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide.
What is the SMILES notation for 2-(3,5-diethyl-1,2-oxazol-4-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide?
The canonical SMILES for 2-(3,5-diethyl-1,2-oxazol-4-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide is CCc1noc(CC)c1CC(=O)Nc1ccc2c(c1F)CCNC2.
What is the InChIKey of 2-(3,5-diethyl-1,2-oxazol-4-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide?
The InChIKey is JZBDWRYAIZUYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-3-14-13(16(4-2)24-22-14)9-17(23)21-15-6-5-11-10-20-8-7-12(11)18(15)19/h5-6,20H,3-4,7-10H2,1-2H3,(H,21,23).
What are the key properties of 2-(3,5-diethyl-1,2-oxazol-4-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide?
2-(3,5-diethyl-1,2-oxazol-4-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide has a molecular weight of 331.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethyl-1,2-oxazol-4-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide is sourced from PubChem (CID 120883036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).