5-(2,5-dimethoxyphenyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole

C19H15N3O3 — CID 11232865

IUPAC5-(2,5-dimethoxyphenyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole
SMILESCOc1ccc(OC)c(-c2nc(-c3nccc4ccccc34)no2)c1
InChIInChI=1S/C19H15N3O3/c1-23-13-7-8-16(24-2)15(11-13)19-21-18(22-25-19)17-14-6-4-3-5-12(14)9-10-20-17/h3-11H,1-2H3
InChIKeyWAMRTTWGBYTLNO-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.97
Rot. Bonds4

About 5-(2,5-dimethoxyphenyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole

5-(2,5-dimethoxyphenyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole (PubChem CID 11232865) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole
PubChem CID11232865
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name5-(2,5-dimethoxyphenyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole
SMILESCOc1ccc(OC)c(-c2nc(-c3nccc4ccccc34)no2)c1
InChIInChI=1S/C19H15N3O3/c1-23-13-7-8-16(24-2)15(11-13)19-21-18(22-25-19)17-14-6-4-3-5-12(14)9-10-20-17/h3-11H,1-2H3
InChIKeyWAMRTTWGBYTLNO-UHFFFAOYSA-N
XLogP3.97
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole (CID 11232865) is 5-(2,5-dimethoxyphenyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole is COc1ccc(OC)c(-c2nc(-c3nccc4ccccc34)no2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole?
The InChIKey is WAMRTTWGBYTLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-23-13-7-8-16(24-2)15(11-13)19-21-18(22-25-19)17-14-6-4-3-5-12(14)9-10-20-17/h3-11H,1-2H3.
What are the key properties of 5-(2,5-dimethoxyphenyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole?
5-(2,5-dimethoxyphenyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole has a molecular weight of 333.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 11232865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).