2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol

C12H9N3O3 — CID 136712714

IUPAC2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESNc1cccc(-c2nc(-c3ccco3)no2)c1O
InChIInChI=1S/C12H9N3O3/c13-8-4-1-3-7(10(8)16)12-14-11(15-18-12)9-5-2-6-17-9/h1-6,16H,13H2
InChIKeyHQXFZVDOHNZYIQ-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.28
Rot. Bonds2

About 2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol

2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136712714) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136712714
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESNc1cccc(-c2nc(-c3ccco3)no2)c1O
InChIInChI=1S/C12H9N3O3/c13-8-4-1-3-7(10(8)16)12-14-11(15-18-12)9-5-2-6-17-9/h1-6,16H,13H2
InChIKeyHQXFZVDOHNZYIQ-UHFFFAOYSA-N
XLogP2.28
TPSA98.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712652
2-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712713
2-amino-6-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888709
2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 62716630
2-amino-6-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136810050
2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol
CID 136712774
4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylphenol
CID 136751072
2-amino-6-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136938694
5-[2-(furan-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 168525312
2-bromo-5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813735
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30333041
[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 62716479

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 136712714) is 2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol is Nc1cccc(-c2nc(-c3ccco3)no2)c1O.
What is the InChIKey of 2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is HQXFZVDOHNZYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c13-8-4-1-3-7(10(8)16)12-14-11(15-18-12)9-5-2-6-17-9/h1-6,16H,13H2.
What are the key properties of 2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 243.22 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136712714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).