N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride

C17H22ClFN4O3 — CID 120882839

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
SMILESCOC(C)c1noc(CCC(=O)Nc2ccc3c(c2F)CCNC3)n1.Cl
InChIInChI=1S/C17H21FN4O3.ClH/c1-10(24-2)17-21-15(25-22-17)6-5-14(23)20-13-4-3-11-9-19-8-7-12(11)16(13)18;/h3-4,10,19H,5-9H2,1-2H3,(H,20,23);1H
InChIKeyCXSLJTFKFLWKIF-UHFFFAOYSA-N
MW384.84 g/mol
LogP2.55
Rot. Bonds6

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride (PubChem CID 120882839) has the molecular formula C17H22ClFN4O3 and a molecular weight of 384.84 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
PubChem CID120882839
Molecular FormulaC17H22ClFN4O3
Molecular Weight384.84 g/mol
Exact Mass384.14
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
SMILESCOC(C)c1noc(CCC(=O)Nc2ccc3c(c2F)CCNC3)n1.Cl
InChIInChI=1S/C17H21FN4O3.ClH/c1-10(24-2)17-21-15(25-22-17)6-5-14(23)20-13-4-3-11-9-19-8-7-12(11)16(13)18;/h3-4,10,19H,5-9H2,1-2H3,(H,20,23);1H
InChIKeyCXSLJTFKFLWKIF-UHFFFAOYSA-N
XLogP2.55
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,5-dimethoxyphenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
CID 120882745
3-[4-(difluoromethoxy)phenyl]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
CID 120881866
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methoxyphenyl)propanamide;hydrochloride
CID 120883861
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride
CID 120884023
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(oxan-2-yl)propanamide;hydrochloride
CID 120881399
3-(3,5-dimethylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
CID 120883364
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(methylsulfamoyl)acetamide;hydrochloride
CID 120881417
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylsulfonylpropanamide;hydrochloride
CID 120883299
3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]propanamide
CID 96528499
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(3-methoxyphenyl)butanamide;hydrochloride
CID 120882209
3-(3,4-dimethoxyphenyl)sulfanyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
CID 120881001
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide;dihydrochloride
CID 120883017

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride (CID 120882839) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride is COC(C)c1noc(CCC(=O)Nc2ccc3c(c2F)CCNC3)n1.Cl.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?
The InChIKey is CXSLJTFKFLWKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3.ClH/c1-10(24-2)17-21-15(25-22-17)6-5-14(23)20-13-4-3-11-9-19-8-7-12(11)16(13)18;/h3-4,10,19H,5-9H2,1-2H3,(H,20,23);1H.
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride has a molecular weight of 384.84 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride is sourced from PubChem (CID 120882839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).