5-(2,4-dimethylphenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole

C17H18N2O — CID 4963274

IUPAC5-(2,4-dimethylphenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESCc1ccc(C2N=C(c3ccccc3C)NO2)c(C)c1
InChIInChI=1S/C17H18N2O/c1-11-8-9-15(13(3)10-11)17-18-16(19-20-17)14-7-5-4-6-12(14)2/h4-10,17H,1-3H3,(H,18,19)
InChIKeyRRSSFJWHKPFOPR-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.59
Rot. Bonds2

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

5-(2,4-dimethylphenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 4963274) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
PubChem CID4963274
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name5-(2,4-dimethylphenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESCc1ccc(C2N=C(c3ccccc3C)NO2)c(C)c1
InChIInChI=1S/C17H18N2O/c1-11-8-9-15(13(3)10-11)17-18-16(19-20-17)14-7-5-4-6-12(14)2/h4-10,17H,1-3H3,(H,18,19)
InChIKeyRRSSFJWHKPFOPR-UHFFFAOYSA-N
XLogP3.59
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 5-(2,4-dimethylphenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole (CID 4963274) is 5-(2,4-dimethylphenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,4-dimethylphenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole is Cc1ccc(C2N=C(c3ccccc3C)NO2)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is RRSSFJWHKPFOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11-8-9-15(13(3)10-11)17-18-16(19-20-17)14-7-5-4-6-12(14)2/h4-10,17H,1-3H3,(H,18,19).
What are the key properties of 5-(2,4-dimethylphenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
5-(2,4-dimethylphenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 266.34 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 4963274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).