3-(2-ethoxy-3-pyridinyl)-5-(2-methylquinolin-4-yl)-1,2,4-oxadiazole

C19H16N4O2 — CID 166213550

IUPAC3-(2-ethoxy-3-pyridinyl)-5-(2-methylquinolin-4-yl)-1,2,4-oxadiazole
SMILESCCOc1ncccc1-c1noc(-c2cc(C)nc3ccccc23)n1
InChIInChI=1S/C19H16N4O2/c1-3-24-18-14(8-6-10-20-18)17-22-19(25-23-17)15-11-12(2)21-16-9-5-4-7-13(15)16/h4-11H,3H2,1-2H3
InChIKeyMOOISNHPRNTBBT-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.05
Rot. Bonds4

About 3-(2-ethoxy-3-pyridinyl)-5-(2-methylquinolin-4-yl)-1,2,4-oxadiazole

3-(2-ethoxy-3-pyridinyl)-5-(2-methylquinolin-4-yl)-1,2,4-oxadiazole (PubChem CID 166213550) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-(2-ethoxy-3-pyridinyl)-5-(2-methylquinolin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxy-3-pyridinyl)-5-(2-methylquinolin-4-yl)-1,2,4-oxadiazole
PubChem CID166213550
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-(2-ethoxy-3-pyridinyl)-5-(2-methylquinolin-4-yl)-1,2,4-oxadiazole
SMILESCCOc1ncccc1-c1noc(-c2cc(C)nc3ccccc23)n1
InChIInChI=1S/C19H16N4O2/c1-3-24-18-14(8-6-10-20-18)17-22-19(25-23-17)15-11-12(2)21-16-9-5-4-7-13(15)16/h4-11H,3H2,1-2H3
InChIKeyMOOISNHPRNTBBT-UHFFFAOYSA-N
XLogP4.05
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-Ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 665510
3-(2-Ethoxy-6-phenylpyridin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 645805
2-Methoxy-6-phenyl-3-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 663734
3-(2-Ethoxy-6-methyl-3-pyridinyl)-5-(2-pyridinyl)-1,2,4-oxadiazole
CID 664958
3-(2-Ethoxy-6-methylpyridin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 913909
2-Ethoxy-6-methyl-3-[5-(3-pyridinyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 913895
3-[2-Methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(3-pyridinyl)-1,2,4-oxadiazole
CID 654290
3-Cyclohexyl-5-(2-pyridin-4-ylquinolin-4-yl)-1,2,4-oxadiazole
CID 3236759
5-(2-Piperidin-4-yloxy-3-pyridinyl)-3-(quinolin-5-ylmethyl)-1,2,4-oxadiazole
CID 127037613
5-benzyl-3-[(E)-2-(2-methoxy-3-quinolyl)vinyl]-1,2,4-oxadiazole
CID 127040970
3-(2-Ethoxy-6-phenylpyridin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 653342
2-Ethoxy-6-(4-methoxyphenyl)-3-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 663893

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-3-pyridinyl)-5-(2-methylquinolin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxy-3-pyridinyl)-5-(2-methylquinolin-4-yl)-1,2,4-oxadiazole (CID 166213550) is 3-(2-ethoxy-3-pyridinyl)-5-(2-methylquinolin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxy-3-pyridinyl)-5-(2-methylquinolin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxy-3-pyridinyl)-5-(2-methylquinolin-4-yl)-1,2,4-oxadiazole is CCOc1ncccc1-c1noc(-c2cc(C)nc3ccccc23)n1.
What is the InChIKey of 3-(2-ethoxy-3-pyridinyl)-5-(2-methylquinolin-4-yl)-1,2,4-oxadiazole?
The InChIKey is MOOISNHPRNTBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-3-24-18-14(8-6-10-20-18)17-22-19(25-23-17)15-11-12(2)21-16-9-5-4-7-13(15)16/h4-11H,3H2,1-2H3.
What are the key properties of 3-(2-ethoxy-3-pyridinyl)-5-(2-methylquinolin-4-yl)-1,2,4-oxadiazole?
3-(2-ethoxy-3-pyridinyl)-5-(2-methylquinolin-4-yl)-1,2,4-oxadiazole has a molecular weight of 332.36 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-3-pyridinyl)-5-(2-methylquinolin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 166213550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).