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

C20H15N3O2 — CID 53103262

IUPAC3-[4-(4-methylphenoxy)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole
SMILESCc1ccc(Oc2ccc(-c3noc(-c4ccccn4)n3)cc2)cc1
InChIInChI=1S/C20H15N3O2/c1-14-5-9-16(10-6-14)24-17-11-7-15(8-12-17)19-22-20(25-23-19)18-4-2-3-13-21-18/h2-13H,1H3
InChIKeyJYGRFHXWXDNJTA-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.90
Rot. Bonds4

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

3-[4-(4-methylphenoxy)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 53103262) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-[4-(4-methylphenoxy)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(4-methylphenoxy)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID53103262
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name3-[4-(4-methylphenoxy)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole
SMILESCc1ccc(Oc2ccc(-c3noc(-c4ccccn4)n3)cc2)cc1
InChIInChI=1S/C20H15N3O2/c1-14-5-9-16(10-6-14)24-17-11-7-15(8-12-17)19-22-20(25-23-19)18-4-2-3-13-21-18/h2-13H,1H3
InChIKeyJYGRFHXWXDNJTA-UHFFFAOYSA-N
XLogP4.90
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-phenylmethoxyphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole
CID 6464068
5-(5,6-dimethyl-2-pyridinyl)-3-(4-pyrimidin-2-yloxyphenyl)-1,2,4-oxadiazole
CID 138008093
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
5-(4-methylphenyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 46044094
5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 838877
3-(2-methoxy-7-methylquinolin-3-yl)-5-pyridin-2-yl-1,2,4-oxadiazole
CID 3842317
2-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111764833
3-(4-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527949
3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole
CID 53035981
5-(3-bromo-5-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 142165311
5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867102
N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237779

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylphenoxy)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(4-methylphenoxy)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole (CID 53103262) is 3-[4-(4-methylphenoxy)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(4-methylphenoxy)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(4-methylphenoxy)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole is Cc1ccc(Oc2ccc(-c3noc(-c4ccccn4)n3)cc2)cc1.
What is the InChIKey of 3-[4-(4-methylphenoxy)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is JYGRFHXWXDNJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-14-5-9-16(10-6-14)24-17-11-7-15(8-12-17)19-22-20(25-23-19)18-4-2-3-13-21-18/h2-13H,1H3.
What are the key properties of 3-[4-(4-methylphenoxy)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole?
3-[4-(4-methylphenoxy)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 329.36 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylphenoxy)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53103262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).