5-[(2,8-dimethylquinolin-4-yl)oxymethyl]-3-methyl-1,2,4-oxadiazole

C15H15N3O2 — CID 75522614

IUPAC5-[(2,8-dimethylquinolin-4-yl)oxymethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1cc(OCc2nc(C)no2)c2cccc(C)c2n1
InChIInChI=1S/C15H15N3O2/c1-9-5-4-6-12-13(7-10(2)16-15(9)12)19-8-14-17-11(3)18-20-14/h4-7H,8H2,1-3H3
InChIKeyBPAQEBKTKGDHSR-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.12
Rot. Bonds3

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

5-[(2,8-dimethylquinolin-4-yl)oxymethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 75522614) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-[(2,8-dimethylquinolin-4-yl)oxymethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2,8-dimethylquinolin-4-yl)oxymethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID75522614
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-[(2,8-dimethylquinolin-4-yl)oxymethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1cc(OCc2nc(C)no2)c2cccc(C)c2n1
InChIInChI=1S/C15H15N3O2/c1-9-5-4-6-12-13(7-10(2)16-15(9)12)19-8-14-17-11(3)18-20-14/h4-7H,8H2,1-3H3
InChIKeyBPAQEBKTKGDHSR-UHFFFAOYSA-N
XLogP3.12
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,8-dimethylquinolin-4-yl)oxymethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2,8-dimethylquinolin-4-yl)oxymethyl]-3-methyl-1,2,4-oxadiazole (CID 75522614) is 5-[(2,8-dimethylquinolin-4-yl)oxymethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2,8-dimethylquinolin-4-yl)oxymethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2,8-dimethylquinolin-4-yl)oxymethyl]-3-methyl-1,2,4-oxadiazole is Cc1cc(OCc2nc(C)no2)c2cccc(C)c2n1.
What is the InChIKey of 5-[(2,8-dimethylquinolin-4-yl)oxymethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is BPAQEBKTKGDHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-5-4-6-12-13(7-10(2)16-15(9)12)19-8-14-17-11(3)18-20-14/h4-7H,8H2,1-3H3.
What are the key properties of 5-[(2,8-dimethylquinolin-4-yl)oxymethyl]-3-methyl-1,2,4-oxadiazole?
5-[(2,8-dimethylquinolin-4-yl)oxymethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 269.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,8-dimethylquinolin-4-yl)oxymethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 75522614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).