5-[(E)-2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one

C11H10N2O3 — CID 166626838

IUPAC5-[(E)-2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCOc1ccc(/C=C/c2n[nH]c(=O)o2)cc1
InChIInChI=1S/C11H10N2O3/c1-15-9-5-2-8(3-6-9)4-7-10-12-13-11(14)16-10/h2-7H,1H3,(H,13,14)/b7-4+
InChIKeyCBTYUEOFKIDICE-QPJJXVBHSA-N
MW218.21 g/mol
LogP1.54
Rot. Bonds3

About 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one

5-[(E)-2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 166626838) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[(E)-2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID166626838
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name5-[(E)-2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCOc1ccc(/C=C/c2n[nH]c(=O)o2)cc1
InChIInChI=1S/C11H10N2O3/c1-15-9-5-2-8(3-6-9)4-7-10-12-13-11(14)16-10/h2-7H,1H3,(H,13,14)/b7-4+
InChIKeyCBTYUEOFKIDICE-QPJJXVBHSA-N
XLogP1.54
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one (CID 166626838) is 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one is COc1ccc(/C=C/c2n[nH]c(=O)o2)cc1.
What is the InChIKey of 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is CBTYUEOFKIDICE-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-15-9-5-2-8(3-6-9)4-7-10-12-13-11(14)16-10/h2-7H,1H3,(H,13,14)/b7-4+.
What are the key properties of 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one?
5-[(E)-2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 218.21 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 166626838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).