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

C16H16N2O — CID 5181773

IUPAC3,5-bis(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESCc1ccccc1C1=NC(c2ccccc2C)ON1
InChIInChI=1S/C16H16N2O/c1-11-7-3-5-9-13(11)15-17-16(19-18-15)14-10-6-4-8-12(14)2/h3-10,16H,1-2H3,(H,17,18)
InChIKeySZQMJNNZYMJSRF-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.28
Rot. Bonds2

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

3,5-bis(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 5181773) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3,5-bis(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name3,5-bis(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
PubChem CID5181773
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3,5-bis(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESCc1ccccc1C1=NC(c2ccccc2C)ON1
InChIInChI=1S/C16H16N2O/c1-11-7-3-5-9-13(11)15-17-16(19-18-15)14-10-6-4-8-12(14)2/h3-10,16H,1-2H3,(H,17,18)
InChIKeySZQMJNNZYMJSRF-UHFFFAOYSA-N
XLogP3.28
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 3,5-bis(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole (CID 5181773) is 3,5-bis(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 3,5-bis(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 3,5-bis(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole is Cc1ccccc1C1=NC(c2ccccc2C)ON1.
What is the InChIKey of 3,5-bis(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is SZQMJNNZYMJSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-7-3-5-9-13(11)15-17-16(19-18-15)14-10-6-4-8-12(14)2/h3-10,16H,1-2H3,(H,17,18).
What are the key properties of 3,5-bis(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
3,5-bis(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 252.32 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 5181773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).