5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol

C15H12N2O4 — CID 107706529

IUPAC5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESCOc1cccc(-c2noc(-c3cc(O)cc(O)c3)n2)c1
InChIInChI=1S/C15H12N2O4/c1-20-13-4-2-3-9(7-13)14-16-15(21-17-14)10-5-11(18)8-12(19)6-10/h2-8,18-19H,1H3
InChIKeyHZJXNQHABDHCOO-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.82
Rot. Bonds3

About 5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol

5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (PubChem CID 107706529) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
PubChem CID107706529
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESCOc1cccc(-c2noc(-c3cc(O)cc(O)c3)n2)c1
InChIInChI=1S/C15H12N2O4/c1-20-13-4-2-3-9(7-13)14-16-15(21-17-14)10-5-11(18)8-12(19)6-10/h2-8,18-19H,1H3
InChIKeyHZJXNQHABDHCOO-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-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904028
methyl 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 6461496
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125
4-iodo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885977
3-(3-methoxyphenyl)-5-(4-nitrophenyl)-1,2,4-oxadiazole
CID 2983228
5-(2,4-dimethylpyrimidin-5-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 99821058
4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136889520
3-(3-methoxyphenyl)-5-(1,3-oxazol-5-yl)-1,2,4-oxadiazole
CID 99963028
4-bromo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62072815
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43519239
4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136782462
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The IUPAC name of 5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (CID 107706529) is 5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is COc1cccc(-c2noc(-c3cc(O)cc(O)c3)n2)c1.
What is the InChIKey of 5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The InChIKey is HZJXNQHABDHCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-20-13-4-2-3-9(7-13)14-16-15(21-17-14)10-5-11(18)8-12(19)6-10/h2-8,18-19H,1H3.
What are the key properties of 5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol 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 5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 107706529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).