2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole

C17H14N2O — CID 59957450

IUPAC2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(C=Cc3ccccc3)cc2)o1
InChIInChI=1S/C17H14N2O/c1-13-18-19-17(20-13)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyYIPQSVLQRDHXLK-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.22
Rot. Bonds3

About 2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole

2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole (PubChem CID 59957450) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole
PubChem CID59957450
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(C=Cc3ccccc3)cc2)o1
InChIInChI=1S/C17H14N2O/c1-13-18-19-17(20-13)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyYIPQSVLQRDHXLK-UHFFFAOYSA-N
XLogP4.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3170416
(E)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]but-3-en-1-ol
CID 142830996
2-(4-tert-butylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 74660783
2,2-dimethyl-5-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 168598715
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;N-methyl-N-phenylaniline;1-methyl-4-phenylbenzene;toluene
CID 157157668
2-(3-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3703705
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
2,5-bis[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]phenyl]-1,3,4-oxadiazole
CID 102039656
2-(4-ethenylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 59816346
2-methyl-5-(3-phenylprop-2-enyl)-1,3,4-oxadiazole
CID 68949565
2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole
CID 53017476

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole (CID 59957450) is 2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole is Cc1nnc(-c2ccc(C=Cc3ccccc3)cc2)o1.
What is the InChIKey of 2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is YIPQSVLQRDHXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-13-18-19-17(20-13)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of 2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole?
2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 262.31 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 59957450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).