3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole

C21H16N2O2 — CID 976183

IUPAC3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C21H16N2O2/c1-24-17-13-11-16(12-14-17)20-22-21(25-23-20)19-10-6-5-9-18(19)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeyJHIDMNKFGHQTND-UHFFFAOYSA-N
MW328.37 g/mol
LogP5.08
Rot. Bonds4

About 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole

3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole (PubChem CID 976183) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole
PubChem CID976183
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C21H16N2O2/c1-24-17-13-11-16(12-14-17)20-22-21(25-23-20)19-10-6-5-9-18(19)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeyJHIDMNKFGHQTND-UHFFFAOYSA-N
XLogP5.08
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.37
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[5-[3-(Methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetic acid
CID 59495631
[2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenyl] acetate
CID 8034425
3-(4-Tert-butylphenyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 2810518
5-(3-Methoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 619837
5-(4-Chlorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 803562
5-(2,4-Dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 893238
3-(4-(5-(4-Isopropoxy-3-methylphenyl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)propanoic acid
CID 11646599
3-(4-(5-(4-Ethoxy-3-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)propanoic acid
CID 44412867
5-[3,5-bis(trifluoromethyl)phenyl]-3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-oxadiazole
CID 57403429
N-ethyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 5213518
2-Methoxy-6-(4-methoxyphenyl)-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 664499
N-(3-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 665357

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole (CID 976183) is 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(-c3ccccc3-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole?
The InChIKey is JHIDMNKFGHQTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-24-17-13-11-16(12-14-17)20-22-21(25-23-20)19-10-6-5-9-18(19)15-7-3-2-4-8-15/h2-14H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole has a molecular weight of 328.37 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 976183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).