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

C10H8N2O — CID 6441446

IUPAC3-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
SMILESC(=C/c1ncon1)\c1ccccc1
InChIInChI=1S/C10H8N2O/c1-2-4-9(5-3-1)6-7-10-11-8-13-12-10/h1-8H/b7-6+
InChIKeyPQPRLUWLXNSHBH-VOTSOKGWSA-N
MW172.19 g/mol
LogP2.24
Rot. Bonds2

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

3-[(E)-2-phenylethenyl]-1,2,4-oxadiazole (PubChem CID 6441446) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
PubChem CID6441446
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name3-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
SMILESC(=C/c1ncon1)\c1ccccc1
InChIInChI=1S/C10H8N2O/c1-2-4-9(5-3-1)6-7-10-11-8-13-12-10/h1-8H/b7-6+
InChIKeyPQPRLUWLXNSHBH-VOTSOKGWSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-phenylethenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(E)-2-phenylethenyl]-1,2,4-oxadiazole (CID 6441446) is 3-[(E)-2-phenylethenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(E)-2-phenylethenyl]-1,2,4-oxadiazole is C(=C/c1ncon1)\c1ccccc1.
What is the InChIKey of 3-[(E)-2-phenylethenyl]-1,2,4-oxadiazole?
The InChIKey is PQPRLUWLXNSHBH-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H8N2O/c1-2-4-9(5-3-1)6-7-10-11-8-13-12-10/h1-8H/b7-6+.
What are the key properties of 3-[(E)-2-phenylethenyl]-1,2,4-oxadiazole?
3-[(E)-2-phenylethenyl]-1,2,4-oxadiazole has a molecular weight of 172.19 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-phenylethenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 6441446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).