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

C14H11N3O3 — CID 136888758

IUPAC2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESNc1cc(-c2nc(-c3cccc(O)c3)no2)ccc1O
InChIInChI=1S/C14H11N3O3/c15-11-7-9(4-5-12(11)19)14-16-13(17-20-14)8-2-1-3-10(18)6-8/h1-7,18-19H,15H2
InChIKeyLAYJRZFFWHALQL-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.40
Rot. Bonds2

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

2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136888758) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136888758
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESNc1cc(-c2nc(-c3cccc(O)c3)no2)ccc1O
InChIInChI=1S/C14H11N3O3/c15-11-7-9(4-5-12(11)19)14-16-13(17-20-14)8-2-1-3-10(18)6-8/h1-7,18-19H,15H2
InChIKeyLAYJRZFFWHALQL-UHFFFAOYSA-N
XLogP2.40
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.40
H-Bond Donors ≤ 53
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

3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921176
2-fluoro-4-[5-(3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136871097
4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136889520
2-amino-4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136872227
2-amino-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888710
2-amino-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872210
3-(3-amino-1,2,4-oxadiazol-5-yl)phenol
CID 115079196
3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82802431
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
2-amino-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 60836256
3-[5-(3-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921047
2-amino-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872205

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136888758) is 2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol is Nc1cc(-c2nc(-c3cccc(O)c3)no2)ccc1O.
What is the InChIKey of 2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is LAYJRZFFWHALQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c15-11-7-9(4-5-12(11)19)14-16-13(17-20-14)8-2-1-3-10(18)6-8/h1-7,18-19H,15H2.
What are the key properties of 2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 269.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136888758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).