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

C15H14N4O3 — CID 75483087

IUPAC5-(3-ethoxy-2-pyridinyl)-3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole
SMILESCCOc1cccnc1-c1nc(-c2ccnc(OC)c2)no1
InChIInChI=1S/C15H14N4O3/c1-3-21-11-5-4-7-17-13(11)15-18-14(19-22-15)10-6-8-16-12(9-10)20-2/h4-9H,3H2,1-2H3
InChIKeyRKXVFOVSXGFZLO-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.60
Rot. Bonds5

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

5-(3-ethoxy-2-pyridinyl)-3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole (PubChem CID 75483087) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 5-(3-ethoxy-2-pyridinyl)-3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-ethoxy-2-pyridinyl)-3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole
PubChem CID75483087
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name5-(3-ethoxy-2-pyridinyl)-3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole
SMILESCCOc1cccnc1-c1nc(-c2ccnc(OC)c2)no1
InChIInChI=1S/C15H14N4O3/c1-3-21-11-5-4-7-17-13(11)15-18-14(19-22-15)10-6-8-16-12(9-10)20-2/h4-9H,3H2,1-2H3
InChIKeyRKXVFOVSXGFZLO-UHFFFAOYSA-N
XLogP2.60
TPSA83.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxy-2-pyridinyl)-3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-ethoxy-2-pyridinyl)-3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole (CID 75483087) is 5-(3-ethoxy-2-pyridinyl)-3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-ethoxy-2-pyridinyl)-3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-ethoxy-2-pyridinyl)-3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole is CCOc1cccnc1-c1nc(-c2ccnc(OC)c2)no1.
What is the InChIKey of 5-(3-ethoxy-2-pyridinyl)-3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is RKXVFOVSXGFZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-3-21-11-5-4-7-17-13(11)15-18-14(19-22-15)10-6-8-16-12(9-10)20-2/h4-9H,3H2,1-2H3.
What are the key properties of 5-(3-ethoxy-2-pyridinyl)-3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole?
5-(3-ethoxy-2-pyridinyl)-3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 298.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxy-2-pyridinyl)-3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 75483087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).