5-(4-methylphenyl)-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazole

C22H18N2O2 — CID 42851376

IUPAC5-(4-methylphenyl)-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3cccc(OCc4ccccc4)c3)no2)cc1
InChIInChI=1S/C22H18N2O2/c1-16-10-12-18(13-11-16)22-23-21(24-26-22)19-8-5-9-20(14-19)25-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3
InChIKeyJBMJSKQMEDMRHY-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.29
Rot. Bonds5

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

5-(4-methylphenyl)-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 42851376) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazole
PubChem CID42851376
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name5-(4-methylphenyl)-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3cccc(OCc4ccccc4)c3)no2)cc1
InChIInChI=1S/C22H18N2O2/c1-16-10-12-18(13-11-16)22-23-21(24-26-22)19-8-5-9-20(14-19)25-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3
InChIKeyJBMJSKQMEDMRHY-UHFFFAOYSA-N
XLogP5.29
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-phenylmethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 8778801
5-(4-methylphenyl)-3-(3-prop-2-enoxyphenyl)-1,2,4-oxadiazole
CID 46043984
3-[4-[(3-fluorophenyl)methoxy]phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 46044104
3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole
CID 46300212
3-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 23008157
4-[3-[3-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 46044016
3-[(3-methylphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 23205015
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
5-(3,5-dimethoxyphenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 83287381
3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 42851492
5-(4-methylphenyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 46044094
5-(5-chloro-2-phenylmethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8813218

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methylphenyl)-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazole (CID 42851376) is 5-(4-methylphenyl)-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methylphenyl)-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methylphenyl)-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2nc(-c3cccc(OCc4ccccc4)c3)no2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is JBMJSKQMEDMRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-16-10-12-18(13-11-16)22-23-21(24-26-22)19-8-5-9-20(14-19)25-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3.
What are the key properties of 5-(4-methylphenyl)-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazole?
5-(4-methylphenyl)-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 342.40 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 42851376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).