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

C17H14N2O — CID 5348621

IUPAC3-(4-methylphenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(/C=C/c3ccccc3)n2)cc1
InChIInChI=1S/C17H14N2O/c1-13-7-10-15(11-8-13)17-18-16(20-19-17)12-9-14-5-3-2-4-6-14/h2-12H,1H3/b12-9+
InChIKeyRFMRUPFWCHYBTJ-FMIVXFBMSA-N
MW262.31 g/mol
LogP4.22
Rot. Bonds3

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

3-(4-methylphenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole (PubChem CID 5348621) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
PubChem CID5348621
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name3-(4-methylphenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(/C=C/c3ccccc3)n2)cc1
InChIInChI=1S/C17H14N2O/c1-13-7-10-15(11-8-13)17-18-16(20-19-17)12-9-14-5-3-2-4-6-14/h2-12H,1H3/b12-9+
InChIKeyRFMRUPFWCHYBTJ-FMIVXFBMSA-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylphenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole (CID 5348621) is 3-(4-methylphenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylphenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole is Cc1ccc(-c2noc(/C=C/c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole?
The InChIKey is RFMRUPFWCHYBTJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H14N2O/c1-13-7-10-15(11-8-13)17-18-16(20-19-17)12-9-14-5-3-2-4-6-14/h2-12H,1H3/b12-9+.
What are the key properties of 3-(4-methylphenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole?
3-(4-methylphenyl)-5-[(E)-2-phenylethenyl]-1,2,4-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 3-(4-methylphenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 5348621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).