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

C10H10N2O3 — CID 136904389

IUPAC4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol
SMILESCCc1noc(-c2ccc(O)c(O)c2)n1
InChIInChI=1S/C10H10N2O3/c1-2-9-11-10(15-12-9)6-3-4-7(13)8(14)5-6/h3-5,13-14H,2H2,1H3
InChIKeyRTLQGXGPFFLUNG-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.71
Rot. Bonds2

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

4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol (PubChem CID 136904389) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol
PubChem CID136904389
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol
SMILESCCc1noc(-c2ccc(O)c(O)c2)n1
InChIInChI=1S/C10H10N2O3/c1-2-9-11-10(15-12-9)6-3-4-7(13)8(14)5-6/h3-5,13-14H,2H2,1H3
InChIKeyRTLQGXGPFFLUNG-UHFFFAOYSA-N
XLogP1.71
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904374
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904425
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 42553350
ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143067916
2-bromo-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol
CID 104938437
2-methyl-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63846099
2-bromo-5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938517
4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904536
5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-iodophenol
CID 114103800
2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136751064
N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119815839

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol?
The IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol (CID 136904389) is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol?
The canonical SMILES for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol is CCc1noc(-c2ccc(O)c(O)c2)n1.
What is the InChIKey of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol?
The InChIKey is RTLQGXGPFFLUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-2-9-11-10(15-12-9)6-3-4-7(13)8(14)5-6/h3-5,13-14H,2H2,1H3.
What are the key properties of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol?
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol has a molecular weight of 206.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol is sourced from PubChem (CID 136904389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).