3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole

C15H14N4O2 — CID 913895

IUPAC3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESCCOc1nc(C)ccc1-c1noc(-c2cccnc2)n1
InChIInChI=1S/C15H14N4O2/c1-3-20-15-12(7-6-10(2)17-15)13-18-14(21-19-13)11-5-4-8-16-9-11/h4-9H,3H2,1-2H3
InChIKeyRPYZJOYUAVKOKW-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.90
Rot. Bonds4

About 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole

3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 913895) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID913895
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESCCOc1nc(C)ccc1-c1noc(-c2cccnc2)n1
InChIInChI=1S/C15H14N4O2/c1-3-20-15-12(7-6-10(2)17-15)13-18-14(21-19-13)11-5-4-8-16-9-11/h4-9H,3H2,1-2H3
InChIKeyRPYZJOYUAVKOKW-UHFFFAOYSA-N
XLogP2.90
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 577830
CID 577830
CID 2033237
CID 2033237
CID 645805
CID 645805
CID 663734
CID 663734
CID 664958
CID 664958
CID 913829
CID 913829
CID 913909
CID 913909
CID 798247
CID 798247
CID 89615742
CID 89615742
CID 89615824
CID 89615824
CID 913807
CID 913807
CID 654290
CID 654290

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole (CID 913895) is 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole is CCOc1nc(C)ccc1-c1noc(-c2cccnc2)n1.
What is the InChIKey of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is RPYZJOYUAVKOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-3-20-15-12(7-6-10(2)17-15)13-18-14(21-19-13)11-5-4-8-16-9-11/h4-9H,3H2,1-2H3.
What are the key properties of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 282.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 913895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).