4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol

C15H12N2O4 — CID 136889520

IUPAC4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc(-c3cccc(O)c3)no2)ccc1O
InChIInChI=1S/C15H12N2O4/c1-20-13-8-10(5-6-12(13)19)15-16-14(17-21-15)9-3-2-4-11(18)7-9/h2-8,18-19H,1H3
InChIKeyHWBQDHRWVXERLS-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.82
Rot. Bonds3

About 4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol

4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol (PubChem CID 136889520) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
PubChem CID136889520
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc(-c3cccc(O)c3)no2)ccc1O
InChIInChI=1S/C15H12N2O4/c1-20-13-8-10(5-6-12(13)19)15-16-14(17-21-15)9-3-2-4-11(18)7-9/h2-8,18-19H,1H3
InChIKeyHWBQDHRWVXERLS-UHFFFAOYSA-N
XLogP2.82
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888758
2-fluoro-4-[5-(3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136871097
methyl 4-[5-(3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 75456998
3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706529
3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82802431
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904028
3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921176
4-[5-[(1R)-1-aminoethyl]-1,2,4-oxadiazol-3-yl]-2-methoxyphenol
CID 136969288
3-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 62876336
3-(3,4-dimethoxyphenyl)phenol
CID 39231875

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol?
The IUPAC name of 4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol (CID 136889520) is 4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol?
The canonical SMILES for 4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol is COc1cc(-c2nc(-c3cccc(O)c3)no2)ccc1O.
What is the InChIKey of 4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol?
The InChIKey is HWBQDHRWVXERLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-20-13-8-10(5-6-12(13)19)15-16-14(17-21-15)9-3-2-4-11(18)7-9/h2-8,18-19H,1H3.
What are the key properties of 4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol?
4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol has a molecular weight of 284.27 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol is sourced from PubChem (CID 136889520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).