3-(3-amino-1,2,4-oxadiazol-5-yl)phenol

C8H7N3O2 — CID 115079196

IUPAC3-(3-amino-1,2,4-oxadiazol-5-yl)phenol
SMILESNc1noc(-c2cccc(O)c2)n1
InChIInChI=1S/C8H7N3O2/c9-8-10-7(13-11-8)5-2-1-3-6(12)4-5/h1-4,12H,(H2,9,11)
InChIKeyWASVWEBBWJYSAT-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.02
Rot. Bonds1

About 3-(3-amino-1,2,4-oxadiazol-5-yl)phenol

3-(3-amino-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 115079196) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 3-(3-amino-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name3-(3-amino-1,2,4-oxadiazol-5-yl)phenol
PubChem CID115079196
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name3-(3-amino-1,2,4-oxadiazol-5-yl)phenol
SMILESNc1noc(-c2cccc(O)c2)n1
InChIInChI=1S/C8H7N3O2/c9-8-10-7(13-11-8)5-2-1-3-6(12)4-5/h1-4,12H,(H2,9,11)
InChIKeyWASVWEBBWJYSAT-UHFFFAOYSA-N
XLogP1.02
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine
CID 65417275
2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888758
5-[3-(aminomethyl)phenyl]-1,2,4-oxadiazol-3-amine
CID 65417709
3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921176
5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-amine;hydrochloride
CID 76848385
5-(3-nitrophenyl)-1,2,4-oxadiazol-3-amine
CID 63692611
2-fluoro-4-[5-(3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136871097
3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 104791040
3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921126
3-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845600
3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82802431
3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845259

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 3-(3-amino-1,2,4-oxadiazol-5-yl)phenol (CID 115079196) is 3-(3-amino-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 3-(3-amino-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 3-(3-amino-1,2,4-oxadiazol-5-yl)phenol is Nc1noc(-c2cccc(O)c2)n1.
What is the InChIKey of 3-(3-amino-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is WASVWEBBWJYSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-8-10-7(13-11-8)5-2-1-3-6(12)4-5/h1-4,12H,(H2,9,11).
What are the key properties of 3-(3-amino-1,2,4-oxadiazol-5-yl)phenol?
3-(3-amino-1,2,4-oxadiazol-5-yl)phenol has a molecular weight of 177.16 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 115079196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).