3-(2-methoxy-6-phenyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole

C19H14N4O2 — CID 663734

IUPAC3-(2-methoxy-6-phenyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESCOc1nc(-c2ccccc2)ccc1-c1noc(-c2cccnc2)n1
InChIInChI=1S/C19H14N4O2/c1-24-19-15(9-10-16(21-19)13-6-3-2-4-7-13)17-22-18(25-23-17)14-8-5-11-20-12-14/h2-12H,1H3
InChIKeyIMUBUWNBRXCYII-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.87
Rot. Bonds4

About 3-(2-methoxy-6-phenyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole

3-(2-methoxy-6-phenyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 663734) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 3-(2-methoxy-6-phenyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxy-6-phenyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID663734
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name3-(2-methoxy-6-phenyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESCOc1nc(-c2ccccc2)ccc1-c1noc(-c2cccnc2)n1
InChIInChI=1S/C19H14N4O2/c1-24-19-15(9-10-16(21-19)13-6-3-2-4-7-13)17-22-18(25-23-17)14-8-5-11-20-12-14/h2-12H,1H3
InChIKeyIMUBUWNBRXCYII-UHFFFAOYSA-N
XLogP3.87
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-6-phenyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxy-6-phenyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole (CID 663734) is 3-(2-methoxy-6-phenyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxy-6-phenyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxy-6-phenyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole is COc1nc(-c2ccccc2)ccc1-c1noc(-c2cccnc2)n1.
What is the InChIKey of 3-(2-methoxy-6-phenyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is IMUBUWNBRXCYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c1-24-19-15(9-10-16(21-19)13-6-3-2-4-7-13)17-22-18(25-23-17)14-8-5-11-20-12-14/h2-12H,1H3.
What are the key properties of 3-(2-methoxy-6-phenyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
3-(2-methoxy-6-phenyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 330.35 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-6-phenyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 663734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).