4,5-bis(2-methylphenyl)oxadiazole

C16H14N2O — CID 21443592

IUPAC4,5-bis(2-methylphenyl)oxadiazole
SMILESCc1ccccc1-c1nnoc1-c1ccccc1C
InChIInChI=1S/C16H14N2O/c1-11-7-3-5-9-13(11)15-16(19-18-17-15)14-10-6-4-8-12(14)2/h3-10H,1-2H3
InChIKeyZVPVCDACKZJPED-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.02
Rot. Bonds2

About 4,5-bis(2-methylphenyl)oxadiazole

4,5-bis(2-methylphenyl)oxadiazole (PubChem CID 21443592) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 4,5-bis(2-methylphenyl)oxadiazole.

Molecular Properties

Compound Name4,5-bis(2-methylphenyl)oxadiazole
PubChem CID21443592
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name4,5-bis(2-methylphenyl)oxadiazole
SMILESCc1ccccc1-c1nnoc1-c1ccccc1C
InChIInChI=1S/C16H14N2O/c1-11-7-3-5-9-13(11)15-16(19-18-17-15)14-10-6-4-8-12(14)2/h3-10H,1-2H3
InChIKeyZVPVCDACKZJPED-UHFFFAOYSA-N
XLogP4.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2-methylphenyl)oxadiazole?
The IUPAC name of 4,5-bis(2-methylphenyl)oxadiazole (CID 21443592) is 4,5-bis(2-methylphenyl)oxadiazole.
What is the SMILES notation for 4,5-bis(2-methylphenyl)oxadiazole?
The canonical SMILES for 4,5-bis(2-methylphenyl)oxadiazole is Cc1ccccc1-c1nnoc1-c1ccccc1C.
What is the InChIKey of 4,5-bis(2-methylphenyl)oxadiazole?
The InChIKey is ZVPVCDACKZJPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-7-3-5-9-13(11)15-16(19-18-17-15)14-10-6-4-8-12(14)2/h3-10H,1-2H3.
What are the key properties of 4,5-bis(2-methylphenyl)oxadiazole?
4,5-bis(2-methylphenyl)oxadiazole has a molecular weight of 250.30 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2-methylphenyl)oxadiazole is sourced from PubChem (CID 21443592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).