2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenol

C9H8N2O3 — CID 137002934

IUPAC2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOCc1nc(-c2ccccc2O)no1
InChIInChI=1S/C9H8N2O3/c12-5-8-10-9(11-14-8)6-3-1-2-4-7(6)13/h1-4,12-13H,5H2
InChIKeyGEHXHFNOEITFKR-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.93
Rot. Bonds2

About 2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenol

2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 137002934) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID137002934
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOCc1nc(-c2ccccc2O)no1
InChIInChI=1S/C9H8N2O3/c12-5-8-10-9(11-14-8)6-3-1-2-4-7(6)13/h1-4,12-13H,5H2
InChIKeyGEHXHFNOEITFKR-UHFFFAOYSA-N
XLogP0.93
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740466
2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115080371
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 37134678
(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63947643
[3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1,2,4-oxadiazol-5-yl]methanol
CID 68997579
2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 115080368
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
CID 62400932
4-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63844567
2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propan-1-ol
CID 112548713
[3-(5-chlorofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanol
CID 115079991
5-ethyl-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 129238942
[5-(hydroxymethyl)-2-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate
CID 164843748

Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenol (CID 137002934) is 2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenol is OCc1nc(-c2ccccc2O)no1.
What is the InChIKey of 2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is GEHXHFNOEITFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c12-5-8-10-9(11-14-8)6-3-1-2-4-7(6)13/h1-4,12-13H,5H2.
What are the key properties of 2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenol?
2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 192.17 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 137002934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).