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

C15H12N2O4 — CID 136903992

IUPAC4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESOc1ccc(Cc2noc(-c3ccc(O)cc3O)n2)cc1
InChIInChI=1S/C15H12N2O4/c18-10-3-1-9(2-4-10)7-14-16-15(21-17-14)12-6-5-11(19)8-13(12)20/h1-6,8,18-20H,7H2
InChIKeyVRYGDOXNTGAJGO-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.44
Rot. Bonds3

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

4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (PubChem CID 136903992) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
PubChem CID136903992
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESOc1ccc(Cc2noc(-c3ccc(O)cc3O)n2)cc1
InChIInChI=1S/C15H12N2O4/c18-10-3-1-9(2-4-10)7-14-16-15(21-17-14)12-6-5-11(19)8-13(12)20/h1-6,8,18-20H,7H2
InChIKeyVRYGDOXNTGAJGO-UHFFFAOYSA-N
XLogP2.44
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylphenol
CID 136751036
4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904172
4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904121
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904336
4-[[5-(2-amino-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 81498942
4-[[5-[3-(aminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 60894442
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenol
CID 15001229
4-[[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 107496062
4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104704099
4-fluoro-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011359
3-fluoro-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827628
2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136751064

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The IUPAC name of 4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (CID 136903992) is 4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is Oc1ccc(Cc2noc(-c3ccc(O)cc3O)n2)cc1.
What is the InChIKey of 4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The InChIKey is VRYGDOXNTGAJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-10-3-1-9(2-4-10)7-14-16-15(21-17-14)12-6-5-11(19)8-13(12)20/h1-6,8,18-20H,7H2.
What are the key properties of 4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol has a molecular weight of 284.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 136903992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).