2-[(2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole

C19H15N3O2 — CID 2993570

IUPAC2-[(2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc2cccc(OCc3nnc(-c4ccccc4)o3)c2n1
InChIInChI=1S/C19H15N3O2/c1-13-10-11-14-8-5-9-16(18(14)20-13)23-12-17-21-22-19(24-17)15-6-3-2-4-7-15/h2-11H,12H2,1H3
InChIKeyWRNAVJCZTCAJKI-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.17
Rot. Bonds4

About 2-[(2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole

2-[(2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 2993570) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[(2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID2993570
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name2-[(2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc2cccc(OCc3nnc(-c4ccccc4)o3)c2n1
InChIInChI=1S/C19H15N3O2/c1-13-10-11-14-8-5-9-16(18(14)20-13)23-12-17-21-22-19(24-17)15-6-3-2-4-7-15/h2-11H,12H2,1H3
InChIKeyWRNAVJCZTCAJKI-UHFFFAOYSA-N
XLogP4.17
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole (CID 2993570) is 2-[(2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole is Cc1ccc2cccc(OCc3nnc(-c4ccccc4)o3)c2n1.
What is the InChIKey of 2-[(2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is WRNAVJCZTCAJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-13-10-11-14-8-5-9-16(18(14)20-13)23-12-17-21-22-19(24-17)15-6-3-2-4-7-15/h2-11H,12H2,1H3.
What are the key properties of 2-[(2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole?
2-[(2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 317.35 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 2993570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).