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

C9H8N2O3 — CID 136813400

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
SMILESCc1noc(-c2c(O)cccc2O)n1
InChIInChI=1S/C9H8N2O3/c1-5-10-9(14-11-5)8-6(12)3-2-4-7(8)13/h2-4,12-13H,1H3
InChIKeyFBUDLMMVZSPHKC-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.46
Rot. Bonds1

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

2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol (PubChem CID 136813400) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
PubChem CID136813400
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
SMILESCc1noc(-c2c(O)cccc2O)n1
InChIInChI=1S/C9H8N2O3/c1-5-10-9(14-11-5)8-6(12)3-2-4-7(8)13/h2-4,12-13H,1H3
InChIKeyFBUDLMMVZSPHKC-UHFFFAOYSA-N
XLogP1.46
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc
CID 135979761
2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 136898430
3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 67086588
2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol
CID 136670660
3-fluoro-2-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789984
2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813540
4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 3692407
2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813512
2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813381
2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136927502
2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813443
3-fluoro-2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136790086

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol (CID 136813400) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol is Cc1noc(-c2c(O)cccc2O)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol?
The InChIKey is FBUDLMMVZSPHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-5-10-9(14-11-5)8-6(12)3-2-4-7(8)13/h2-4,12-13H,1H3.
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol?
2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol has a molecular weight of 192.17 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol is sourced from PubChem (CID 136813400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).