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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Related Compounds

CID 891438
CID 891438
CID 44520938
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CID 664958
CID 664958
CID 913829
CID 913829
CID 913909
CID 913909
CID 912656
CID 912656
CID 138549833
CID 138549833
CID 138549840
CID 138549840
CID 138549843
CID 138549843
CID 142752190
CID 142752190
CID 913895
CID 913895
CID 808904
CID 808904

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).