5-(3-phenylmethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole

C20H15N3O2 — CID 8778801

IUPAC5-(3-phenylmethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(COc2cccc(-c3nc(-c4ccncc4)no3)c2)cc1
InChIInChI=1S/C20H15N3O2/c1-2-5-15(6-3-1)14-24-18-8-4-7-17(13-18)20-22-19(23-25-20)16-9-11-21-12-10-16/h1-13H,14H2
InChIKeyYLIHRGFDOXAOTA-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.38
Rot. Bonds5

About 5-(3-phenylmethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole

5-(3-phenylmethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 8778801) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-(3-phenylmethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-phenylmethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID8778801
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name5-(3-phenylmethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1ccc(COc2cccc(-c3nc(-c4ccncc4)no3)c2)cc1
InChIInChI=1S/C20H15N3O2/c1-2-5-15(6-3-1)14-24-18-8-4-7-17(13-18)20-22-19(23-25-20)16-9-11-21-12-10-16/h1-13H,14H2
InChIKeyYLIHRGFDOXAOTA-UHFFFAOYSA-N
XLogP4.38
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3-phenylmethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-methylphenyl)-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazole
CID 42851376
3-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 23008157
5-[3-[(3-bromophenoxy)methyl]phenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326225
2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
CID 63793365
3-(4-phenylmethoxyphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole
CID 6464068
1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]propane-2-thiol
CID 143910223
2-[3-(pyridin-4-ylmethoxy)phenyl]quinoxaline
CID 138808875
3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole
CID 46300212
4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole
CID 22009622
4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
CID 53229665
5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-3-[3-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazole
CID 166253926
5-(5-chloro-2-phenylmethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8813218

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylmethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-phenylmethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 8778801) is 5-(3-phenylmethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-phenylmethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-phenylmethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is c1ccc(COc2cccc(-c3nc(-c4ccncc4)no3)c2)cc1.
What is the InChIKey of 5-(3-phenylmethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is YLIHRGFDOXAOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-2-5-15(6-3-1)14-24-18-8-4-7-17(13-18)20-22-19(23-25-20)16-9-11-21-12-10-16/h1-13H,14H2.
What are the key properties of 5-(3-phenylmethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(3-phenylmethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 329.36 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylmethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 8778801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).