3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole

C15H12N2O — CID 91136063

IUPAC3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C15H12N2O/c1-11-16-15(18-17-11)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyBHWODKZITNIVFZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.71
Rot. Bonds2

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

3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole (PubChem CID 91136063) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
PubChem CID91136063
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C15H12N2O/c1-11-16-15(18-17-11)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyBHWODKZITNIVFZ-UHFFFAOYSA-N
XLogP3.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole (CID 91136063) is 3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole is Cc1noc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole?
The InChIKey is BHWODKZITNIVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-11-16-15(18-17-11)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole?
3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole has a molecular weight of 236.27 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 91136063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).