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

C15H16N4O — CID 63949082

IUPAC4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCC(N)CCc1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C15H16N4O/c1-10(16)6-7-13-18-15(19-20-13)14-12-5-3-2-4-11(12)8-9-17-14/h2-5,8-10H,6-7,16H2,1H3
InChIKeyRUWIKUWGSFSLJV-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.56
Rot. Bonds4

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

4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine (PubChem CID 63949082) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
PubChem CID63949082
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCC(N)CCc1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C15H16N4O/c1-10(16)6-7-13-18-15(19-20-13)14-12-5-3-2-4-11(12)8-9-17-14/h2-5,8-10H,6-7,16H2,1H3
InChIKeyRUWIKUWGSFSLJV-UHFFFAOYSA-N
XLogP2.56
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 63948418
3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 63950448
(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63947643
ethyl 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79481902
(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
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63347367
5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103442844
methyl 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79475323
5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 154530032
3-isoquinolin-1-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
CID 63950701

Frequently Asked Questions

What is the IUPAC name of 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The IUPAC name of 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine (CID 63949082) is 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine.
What is the SMILES notation for 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The canonical SMILES for 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine is CC(N)CCc1nc(-c2nccc3ccccc23)no1.
What is the InChIKey of 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The InChIKey is RUWIKUWGSFSLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10(16)6-7-13-18-15(19-20-13)14-12-5-3-2-4-11(12)8-9-17-14/h2-5,8-10H,6-7,16H2,1H3.
What are the key properties of 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine has a molecular weight of 268.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 63949082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).