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

C12H12N2O4 — CID 136904136

IUPAC4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESOc1ccc(-c2nc(C3CCCO3)no2)c(O)c1
InChIInChI=1S/C12H12N2O4/c15-7-3-4-8(9(16)6-7)12-13-11(14-18-12)10-2-1-5-17-10/h3-4,6,10,15-16H,1-2,5H2
InChIKeyQLKGNNYGWWUUSB-UHFFFAOYSA-N
MW248.24 g/mol
LogP2.00
Rot. Bonds2

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

4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (PubChem CID 136904136) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
PubChem CID136904136
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESOc1ccc(-c2nc(C3CCCO3)no2)c(O)c1
InChIInChI=1S/C12H12N2O4/c15-7-3-4-8(9(16)6-7)12-13-11(14-18-12)10-2-1-5-17-10/h3-4,6,10,15-16H,1-2,5H2
InChIKeyQLKGNNYGWWUUSB-UHFFFAOYSA-N
XLogP2.00
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65331224
4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904152
4-methoxy-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115411856
2-[2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65331514
3-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751103
3-(oxolan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 104559126
4-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904174
2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904167
3-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827647
2-fluoro-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65331106
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136789933
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136789963

Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The IUPAC name of 4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (CID 136904136) is 4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is Oc1ccc(-c2nc(C3CCCO3)no2)c(O)c1.
What is the InChIKey of 4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The InChIKey is QLKGNNYGWWUUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c15-7-3-4-8(9(16)6-7)12-13-11(14-18-12)10-2-1-5-17-10/h3-4,6,10,15-16H,1-2,5H2.
What are the key properties of 4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol has a molecular weight of 248.24 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 136904136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).