5-(furan-2-yl)-3-(2-methoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole

C17H13N3O3 — CID 935408

IUPAC5-(furan-2-yl)-3-(2-methoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole
SMILESCOc1nc2c(C)cccc2cc1-c1noc(-c2ccco2)n1
InChIInChI=1S/C17H13N3O3/c1-10-5-3-6-11-9-12(16(21-2)18-14(10)11)15-19-17(23-20-15)13-7-4-8-22-13/h3-9H,1-2H3
InChIKeySFHPLLXPEFQMTA-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.86
Rot. Bonds3

About 5-(furan-2-yl)-3-(2-methoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole

5-(furan-2-yl)-3-(2-methoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole (PubChem CID 935408) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(2-methoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(2-methoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole
PubChem CID935408
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name5-(furan-2-yl)-3-(2-methoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole
SMILESCOc1nc2c(C)cccc2cc1-c1noc(-c2ccco2)n1
InChIInChI=1S/C17H13N3O3/c1-10-5-3-6-11-9-12(16(21-2)18-14(10)11)15-19-17(23-20-15)13-7-4-8-22-13/h3-9H,1-2H3
InChIKeySFHPLLXPEFQMTA-UHFFFAOYSA-N
XLogP3.86
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(2-methoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(furan-2-yl)-3-(2-methoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole (CID 935408) is 5-(furan-2-yl)-3-(2-methoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(furan-2-yl)-3-(2-methoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(furan-2-yl)-3-(2-methoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole is COc1nc2c(C)cccc2cc1-c1noc(-c2ccco2)n1.
What is the InChIKey of 5-(furan-2-yl)-3-(2-methoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole?
The InChIKey is SFHPLLXPEFQMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c1-10-5-3-6-11-9-12(16(21-2)18-14(10)11)15-19-17(23-20-15)13-7-4-8-22-13/h3-9H,1-2H3.
What are the key properties of 5-(furan-2-yl)-3-(2-methoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole?
5-(furan-2-yl)-3-(2-methoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole has a molecular weight of 307.31 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-(2-methoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 935408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).