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

C10H12N2O — CID 91411788

IUPAC5-methyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESCc1ccc(C2=NC(C)ON2)cc1
InChIInChI=1S/C10H12N2O/c1-7-3-5-9(6-4-7)10-11-8(2)13-12-10/h3-6,8H,1-2H3,(H,11,12)
InChIKeyIQGRDHSLDGXYQE-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.62
Rot. Bonds1

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

5-methyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 91411788) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-methyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
PubChem CID91411788
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name5-methyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESCc1ccc(C2=NC(C)ON2)cc1
InChIInChI=1S/C10H12N2O/c1-7-3-5-9(6-4-7)10-11-8(2)13-12-10/h3-6,8H,1-2H3,(H,11,12)
InChIKeyIQGRDHSLDGXYQE-UHFFFAOYSA-N
XLogP1.62
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole (CID 91411788) is 5-methyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole is Cc1ccc(C2=NC(C)ON2)cc1.
What is the InChIKey of 5-methyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is IQGRDHSLDGXYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7-3-5-9(6-4-7)10-11-8(2)13-12-10/h3-6,8H,1-2H3,(H,11,12).
What are the key properties of 5-methyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
5-methyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 176.22 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 91411788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).