2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole

C17H14N2O — CID 3170416

IUPAC2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(C=Cc3ccccc3)o2)cc1
InChIInChI=1S/C17H14N2O/c1-13-7-10-15(11-8-13)17-19-18-16(20-17)12-9-14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyWZCMQJAODHOAGA-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.22
Rot. Bonds3

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

2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole (PubChem CID 3170416) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
PubChem CID3170416
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(C=Cc3ccccc3)o2)cc1
InChIInChI=1S/C17H14N2O/c1-13-7-10-15(11-8-13)17-19-18-16(20-17)12-9-14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyWZCMQJAODHOAGA-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

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Related Compounds

2-(4-tert-butylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 74660783
2-(3-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3703705
2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole
CID 59957450
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 162787615
(E)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 80503569
4-[(E)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]-1-phenylpyrazole-3-carboxylic acid
CID 75465199
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
2-[2-(4-methylphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole
CID 54289722
2-[2-[4-(5,6-dimethoxybenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole
CID 170847921
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazole
CID 101351674
2-(2-phenylethenyl)-5-(trichloromethyl)-1,3,4-oxadiazole
CID 54121484

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole (CID 3170416) is 2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(C=Cc3ccccc3)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole?
The InChIKey is WZCMQJAODHOAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-13-7-10-15(11-8-13)17-19-18-16(20-17)12-9-14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of 2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole?
2-(4-methylphenyl)-5-(2-phenylethenyl)-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-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 3170416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).