5-[(2-phenylmethoxyphenyl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole

C20H16N4O2 — CID 72936251

IUPAC5-[(2-phenylmethoxyphenyl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
SMILESc1ccc(COc2ccccc2Cc2nc(-c3cccnn3)no2)cc1
InChIInChI=1S/C20H16N4O2/c1-2-7-15(8-3-1)14-25-18-11-5-4-9-16(18)13-19-22-20(24-26-19)17-10-6-12-21-23-17/h1-12H,13-14H2
InChIKeySDJLFJDTJQPXJX-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.70
Rot. Bonds6

About 5-[(2-phenylmethoxyphenyl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole

5-[(2-phenylmethoxyphenyl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole (PubChem CID 72936251) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 5-[(2-phenylmethoxyphenyl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-phenylmethoxyphenyl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
PubChem CID72936251
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name5-[(2-phenylmethoxyphenyl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
SMILESc1ccc(COc2ccccc2Cc2nc(-c3cccnn3)no2)cc1
InChIInChI=1S/C20H16N4O2/c1-2-7-15(8-3-1)14-25-18-11-5-4-9-16(18)13-19-22-20(24-26-19)17-10-6-12-21-23-17/h1-12H,13-14H2
InChIKeySDJLFJDTJQPXJX-UHFFFAOYSA-N
XLogP3.70
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-phenylmethoxyphenyl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-phenylmethoxyphenyl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole (CID 72936251) is 5-[(2-phenylmethoxyphenyl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-phenylmethoxyphenyl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-phenylmethoxyphenyl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole is c1ccc(COc2ccccc2Cc2nc(-c3cccnn3)no2)cc1.
What is the InChIKey of 5-[(2-phenylmethoxyphenyl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole?
The InChIKey is SDJLFJDTJQPXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-2-7-15(8-3-1)14-25-18-11-5-4-9-16(18)13-19-22-20(24-26-19)17-10-6-12-21-23-17/h1-12H,13-14H2.
What are the key properties of 5-[(2-phenylmethoxyphenyl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole?
5-[(2-phenylmethoxyphenyl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole has a molecular weight of 344.37 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-phenylmethoxyphenyl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 72936251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).