5-methyl-3-[2-(2-propan-2-ylphenyl)propan-2-yl]-2,5-dihydro-1,2,4-oxadiazole

C15H22N2O — CID 59210865

IUPAC5-methyl-3-[2-(2-propan-2-ylphenyl)propan-2-yl]-2,5-dihydro-1,2,4-oxadiazole
SMILESCC1N=C(C(C)(C)c2ccccc2C(C)C)NO1
InChIInChI=1S/C15H22N2O/c1-10(2)12-8-6-7-9-13(12)15(4,5)14-16-11(3)18-17-14/h6-11H,1-5H3,(H,16,17)
InChIKeyHXMVFQVJIMFTNH-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.37
Rot. Bonds3

About 5-methyl-3-[2-(2-propan-2-ylphenyl)propan-2-yl]-2,5-dihydro-1,2,4-oxadiazole

5-methyl-3-[2-(2-propan-2-ylphenyl)propan-2-yl]-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 59210865) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-methyl-3-[2-(2-propan-2-ylphenyl)propan-2-yl]-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[2-(2-propan-2-ylphenyl)propan-2-yl]-2,5-dihydro-1,2,4-oxadiazole
PubChem CID59210865
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-methyl-3-[2-(2-propan-2-ylphenyl)propan-2-yl]-2,5-dihydro-1,2,4-oxadiazole
SMILESCC1N=C(C(C)(C)c2ccccc2C(C)C)NO1
InChIInChI=1S/C15H22N2O/c1-10(2)12-8-6-7-9-13(12)15(4,5)14-16-11(3)18-17-14/h6-11H,1-5H3,(H,16,17)
InChIKeyHXMVFQVJIMFTNH-UHFFFAOYSA-N
XLogP3.37
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(2-propan-2-ylphenyl)propan-2-yl]-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[2-(2-propan-2-ylphenyl)propan-2-yl]-2,5-dihydro-1,2,4-oxadiazole (CID 59210865) is 5-methyl-3-[2-(2-propan-2-ylphenyl)propan-2-yl]-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[2-(2-propan-2-ylphenyl)propan-2-yl]-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[2-(2-propan-2-ylphenyl)propan-2-yl]-2,5-dihydro-1,2,4-oxadiazole is CC1N=C(C(C)(C)c2ccccc2C(C)C)NO1.
What is the InChIKey of 5-methyl-3-[2-(2-propan-2-ylphenyl)propan-2-yl]-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is HXMVFQVJIMFTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)12-8-6-7-9-13(12)15(4,5)14-16-11(3)18-17-14/h6-11H,1-5H3,(H,16,17).
What are the key properties of 5-methyl-3-[2-(2-propan-2-ylphenyl)propan-2-yl]-2,5-dihydro-1,2,4-oxadiazole?
5-methyl-3-[2-(2-propan-2-ylphenyl)propan-2-yl]-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 246.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(2-propan-2-ylphenyl)propan-2-yl]-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 59210865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).