3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole

C22H18N2O — CID 8895143

IUPAC3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(Cc3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C22H18N2O/c1-16-7-11-20(12-8-16)22-23-21(25-24-22)15-17-9-13-19(14-10-17)18-5-3-2-4-6-18/h2-14H,15H2,1H3
InChIKeyYQDRIXQTJBVXHL-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.30
Rot. Bonds4

About 3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole

3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole (PubChem CID 8895143) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
PubChem CID8895143
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(Cc3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C22H18N2O/c1-16-7-11-20(12-8-16)22-23-21(25-24-22)15-17-9-13-19(14-10-17)18-5-3-2-4-6-18/h2-14H,15H2,1H3
InChIKeyYQDRIXQTJBVXHL-UHFFFAOYSA-N
XLogP5.30
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzyl-3-phenyl-1,2,4-oxadiazole
CID 752274
3-(4-methoxyphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895154
5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 895193
N,N-dimethyl-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 50769325
5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 23605175
5-[(4-methylphenyl)methyl]-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53035927
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-phenylphenyl)-N-propan-2-ylacetamide
CID 17020197
3-(5-benzyl-1,2,4-oxadiazol-3-yl)aniline
CID 43525256
2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2997415
5-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 888655
3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 6459156
5-[(4-methylphenyl)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075221

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole (CID 8895143) is 3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole is Cc1ccc(-c2noc(Cc3ccc(-c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is YQDRIXQTJBVXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-16-7-11-20(12-8-16)22-23-21(25-24-22)15-17-9-13-19(14-10-17)18-5-3-2-4-6-18/h2-14H,15H2,1H3.
What are the key properties of 3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole?
3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 326.40 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 8895143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).