5-ethenyl-3-phenyl-1,2,4-oxadiazole

C10H8N2O — CID 14373585

IUPAC5-ethenyl-3-phenyl-1,2,4-oxadiazole
SMILESC=Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C10H8N2O/c1-2-9-11-10(12-13-9)8-6-4-3-5-7-8/h2-7H,1H2
InChIKeyWSTDQQDNFXEASU-UHFFFAOYSA-N
MW172.19 g/mol
LogP2.38
Rot. Bonds2

About 5-ethenyl-3-phenyl-1,2,4-oxadiazole

5-ethenyl-3-phenyl-1,2,4-oxadiazole (PubChem CID 14373585) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 5-ethenyl-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethenyl-3-phenyl-1,2,4-oxadiazole
PubChem CID14373585
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name5-ethenyl-3-phenyl-1,2,4-oxadiazole
SMILESC=Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C10H8N2O/c1-2-9-11-10(12-13-9)8-6-4-3-5-7-8/h2-7H,1H2
InChIKeyWSTDQQDNFXEASU-UHFFFAOYSA-N
XLogP2.38
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-ethenyl-3-phenyl-1,2,4-oxadiazole (CID 14373585) is 5-ethenyl-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethenyl-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-ethenyl-3-phenyl-1,2,4-oxadiazole is C=Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 5-ethenyl-3-phenyl-1,2,4-oxadiazole?
The InChIKey is WSTDQQDNFXEASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-2-9-11-10(12-13-9)8-6-4-3-5-7-8/h2-7H,1H2.
What are the key properties of 5-ethenyl-3-phenyl-1,2,4-oxadiazole?
5-ethenyl-3-phenyl-1,2,4-oxadiazole has a molecular weight of 172.19 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 14373585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).