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

C14H10FN3O2 — CID 60836256

IUPAC2-amino-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESNc1ccc(-c2nc(-c3cccc(F)c3)no2)cc1O
InChIInChI=1S/C14H10FN3O2/c15-10-3-1-2-8(6-10)13-17-14(20-18-13)9-4-5-11(16)12(19)7-9/h1-7,19H,16H2
InChIKeyODHJFOMNWDZYHT-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.83
Rot. Bonds2

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

2-amino-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 60836256) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-amino-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-amino-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID60836256
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name2-amino-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESNc1ccc(-c2nc(-c3cccc(F)c3)no2)cc1O
InChIInChI=1S/C14H10FN3O2/c15-10-3-1-2-8(6-10)13-17-14(20-18-13)9-4-5-11(16)12(19)7-9/h1-7,19H,16H2
InChIKeyODHJFOMNWDZYHT-UHFFFAOYSA-N
XLogP2.83
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 43514837
3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
2-amino-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 54924255
2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888758
4-[5-(4-amino-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136810165
5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole
CID 160804234
2-amino-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 60837408
2-fluoro-4-[5-(3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136871097
2-amino-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872210
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline
CID 43514855
3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921176
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 28534056

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-amino-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 60836256) is 2-amino-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-amino-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-amino-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol is Nc1ccc(-c2nc(-c3cccc(F)c3)no2)cc1O.
What is the InChIKey of 2-amino-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is ODHJFOMNWDZYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-10-3-1-2-8(6-10)13-17-14(20-18-13)9-4-5-11(16)12(19)7-9/h1-7,19H,16H2.
What are the key properties of 2-amino-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
2-amino-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 271.25 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 60836256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).