1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine

C14H14N4O — CID 63948418

IUPAC1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCC(N)Cc1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C14H14N4O/c1-9(15)8-12-17-14(18-19-12)13-11-5-3-2-4-10(11)6-7-16-13/h2-7,9H,8,15H2,1H3
InChIKeyIJTIBGDKHKRANQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.17
Rot. Bonds3

About 1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine

1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (PubChem CID 63948418) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
PubChem CID63948418
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCC(N)Cc1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C14H14N4O/c1-9(15)8-12-17-14(18-19-12)13-11-5-3-2-4-10(11)6-7-16-13/h2-7,9H,8,15H2,1H3
InChIKeyIJTIBGDKHKRANQ-UHFFFAOYSA-N
XLogP2.17
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63949082
(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63947643
(2S)-2-amino-N-[(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutanamide;hydrochloride
CID 120834896
2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)acetic acid
CID 63948422
2-amino-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 63949235
ethyl 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79481902
1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63839886
methyl 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79475323
3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 63950448
3-isoquinolin-1-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
CID 63950701
5-[1-(azetidin-3-yl)ethyl]-3-isoquinolin-1-yl-1,2,4-oxadiazole
CID 116682532
1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 43358487

Frequently Asked Questions

What is the IUPAC name of 1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The IUPAC name of 1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (CID 63948418) is 1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is CC(N)Cc1nc(-c2nccc3ccccc23)no1.
What is the InChIKey of 1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The InChIKey is IJTIBGDKHKRANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9(15)8-12-17-14(18-19-12)13-11-5-3-2-4-10(11)6-7-16-13/h2-7,9H,8,15H2,1H3.
What are the key properties of 1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine has a molecular weight of 254.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 63948418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).