2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine

C14H18N4O — CID 137345612

IUPAC2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine
SMILESCC(C)(N)c1nnc(N2CCc3ccccc3C2)o1
InChIInChI=1S/C14H18N4O/c1-14(2,15)12-16-17-13(19-12)18-8-7-10-5-3-4-6-11(10)9-18/h3-6H,7-9,15H2,1-2H3
InChIKeyYVUANZNGEOCRGS-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.83
Rot. Bonds2

About 2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine

2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine (PubChem CID 137345612) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine
PubChem CID137345612
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine
SMILESCC(C)(N)c1nnc(N2CCc3ccccc3C2)o1
InChIInChI=1S/C14H18N4O/c1-14(2,15)12-16-17-13(19-12)18-8-7-10-5-3-4-6-11(10)9-18/h3-6H,7-9,15H2,1-2H3
InChIKeyYVUANZNGEOCRGS-UHFFFAOYSA-N
XLogP1.83
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine with MolForge

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Related Compounds

N-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106967827
2-phenyl-3,4-dihydro-1H-isoquinoline
CID 11321753
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine
CID 59868746
1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106967755
2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 21276884
6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridin-3-amine
CID 62476681
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 141294642
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-4-amine
CID 98468291
N-tert-butyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-5-amine
CID 112953258
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-amine
CID 103436503
[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-dithiazol-3-ylidene]-dimethylazanium
CID 3812203

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine?
The IUPAC name of 2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine (CID 137345612) is 2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine?
The canonical SMILES for 2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine is CC(C)(N)c1nnc(N2CCc3ccccc3C2)o1.
What is the InChIKey of 2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine?
The InChIKey is YVUANZNGEOCRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(2,15)12-16-17-13(19-12)18-8-7-10-5-3-4-6-11(10)9-18/h3-6H,7-9,15H2,1-2H3.
What are the key properties of 2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine?
2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine has a molecular weight of 258.32 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-yl]propan-2-amine is sourced from PubChem (CID 137345612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).