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

C16H12N2O3 — CID 135460532

IUPAC2-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenol
SMILESOc1ccccc1/C=C/c1noc(-c2ccccc2O)n1
InChIInChI=1S/C16H12N2O3/c19-13-7-3-1-5-11(13)9-10-15-17-16(21-18-15)12-6-2-4-8-14(12)20/h1-10,19-20H/b10-9+
InChIKeyOUGQQERBJUGIMD-MDZDMXLPSA-N
MW280.28 g/mol
LogP3.32
Rot. Bonds3

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

2-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenol (PubChem CID 135460532) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenol.

Molecular Properties

Compound Name2-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenol
PubChem CID135460532
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenol
SMILESOc1ccccc1/C=C/c1noc(-c2ccccc2O)n1
InChIInChI=1S/C16H12N2O3/c19-13-7-3-1-5-11(13)9-10-15-17-16(21-18-15)12-6-2-4-8-14(12)20/h1-10,19-20H/b10-9+
InChIKeyOUGQQERBJUGIMD-MDZDMXLPSA-N
XLogP3.32
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Phenyl-1,2,4-oxadiazol-5-yl)phenol
CID 779192
[2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenyl] acetate
CID 8034425
N-[4-[(E)-2-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-2H-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide
CID 135419176
2-[5-(2-Hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 767655
Phenol, 2-[3-[2-[4-(dimethylamino)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]-
CID 5296010
3-(2-Methoxyphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2234387
5-(2-Methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
3-Benzyl-5-phenyl-1,2,4-oxadiazole
CID 4215501
4-[3-(4-Iodophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136099769
(E)-2-(3-(3,4-dimethoxystyryl)-1,2,4-oxadiazol-5-yl)phenol
CID 135419174
4-[3-(2-methylphenyl)-2H-1,2,4-oxadiazol-5-ylidene]cyclohexa-2,5-dien-1-one
CID 798302
2-{3-[4-(Dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}phenol
CID 3244230

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenol?
The IUPAC name of 2-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenol (CID 135460532) is 2-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenol.
What is the SMILES notation for 2-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenol?
The canonical SMILES for 2-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenol is Oc1ccccc1/C=C/c1noc(-c2ccccc2O)n1.
What is the InChIKey of 2-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenol?
The InChIKey is OUGQQERBJUGIMD-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-13-7-3-1-5-11(13)9-10-15-17-16(21-18-15)12-6-2-4-8-14(12)20/h1-10,19-20H/b10-9+.
What are the key properties of 2-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenol?
2-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenol has a molecular weight of 280.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenol is sourced from PubChem (CID 135460532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).