2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol

C18H16N2O4 — CID 135419174

IUPAC2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCOc1ccc(/C=C/c2noc(-c3ccccc3O)n2)cc1OC
InChIInChI=1S/C18H16N2O4/c1-22-15-9-7-12(11-16(15)23-2)8-10-17-19-18(24-20-17)13-5-3-4-6-14(13)21/h3-11,21H,1-2H3/b10-8+
InChIKeyIDBNKLNCVZZZCQ-CSKARUKUSA-N
MW324.34 g/mol
LogP3.63
Rot. Bonds5

About 2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol

2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 135419174) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID135419174
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCOc1ccc(/C=C/c2noc(-c3ccccc3O)n2)cc1OC
InChIInChI=1S/C18H16N2O4/c1-22-15-9-7-12(11-16(15)23-2)8-10-17-19-18(24-20-17)13-5-3-4-6-14(13)21/h3-11,21H,1-2H3/b10-8+
InChIKeyIDBNKLNCVZZZCQ-CSKARUKUSA-N
XLogP3.63
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol (CID 135419174) is 2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol is COc1ccc(/C=C/c2noc(-c3ccccc3O)n2)cc1OC.
What is the InChIKey of 2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is IDBNKLNCVZZZCQ-CSKARUKUSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-22-15-9-7-12(11-16(15)23-2)8-10-17-19-18(24-20-17)13-5-3-4-6-14(13)21/h3-11,21H,1-2H3/b10-8+.
What are the key properties of 2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol?
2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 324.34 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 135419174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).