5-[[4-(4-methoxyphenyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole

C21H17N3O2 — CID 20967064

IUPAC5-[[4-(4-methoxyphenyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2ccc(Cc3nc(-c4ccccn4)no3)cc2)cc1
InChIInChI=1S/C21H17N3O2/c1-25-18-11-9-17(10-12-18)16-7-5-15(6-8-16)14-20-23-21(24-26-20)19-4-2-3-13-22-19/h2-13H,14H2,1H3
InChIKeyBMYZARCSOXJYDD-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.40
Rot. Bonds5

About 5-[[4-(4-methoxyphenyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole

5-[[4-(4-methoxyphenyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 20967064) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-[[4-(4-methoxyphenyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(4-methoxyphenyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID20967064
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name5-[[4-(4-methoxyphenyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2ccc(Cc3nc(-c4ccccn4)no3)cc2)cc1
InChIInChI=1S/C21H17N3O2/c1-25-18-11-9-17(10-12-18)16-7-5-15(6-8-16)14-20-23-21(24-26-20)19-4-2-3-13-22-19/h2-13H,14H2,1H3
InChIKeyBMYZARCSOXJYDD-UHFFFAOYSA-N
XLogP4.40
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-methoxyphenyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(4-methoxyphenyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 20967064) is 5-[[4-(4-methoxyphenyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(4-methoxyphenyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(4-methoxyphenyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole is COc1ccc(-c2ccc(Cc3nc(-c4ccccn4)no3)cc2)cc1.
What is the InChIKey of 5-[[4-(4-methoxyphenyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is BMYZARCSOXJYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-25-18-11-9-17(10-12-18)16-7-5-15(6-8-16)14-20-23-21(24-26-20)19-4-2-3-13-22-19/h2-13H,14H2,1H3.
What are the key properties of 5-[[4-(4-methoxyphenyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[[4-(4-methoxyphenyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 343.39 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-methoxyphenyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 20967064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).