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

C14H10FN3O2 — CID 136712713

IUPAC2-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESNc1cccc(-c2nc(-c3ccccc3F)no2)c1O
InChIInChI=1S/C14H10FN3O2/c15-10-6-2-1-4-8(10)13-17-14(20-18-13)9-5-3-7-11(16)12(9)19/h1-7,19H,16H2
InChIKeyKZVCUZPZNJZHIW-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.83
Rot. Bonds2

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

2-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136712713) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136712713
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name2-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESNc1cccc(-c2nc(-c3ccccc3F)no2)c1O
InChIInChI=1S/C14H10FN3O2/c15-10-6-2-1-4-8(10)13-17-14(20-18-13)9-5-3-7-11(16)12(9)19/h1-7,19H,16H2
InChIKeyKZVCUZPZNJZHIW-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

2-amino-6-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136810050
2,4-difluoro-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62715086
2-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 62661065
2-amino-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712652
4-fluoro-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62716460
2-amino-6-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888709
2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712714
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 42281998
3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43443181
4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503339
2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 136898430
sodium 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 23705996

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136712713) is 2-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol is Nc1cccc(-c2nc(-c3ccccc3F)no2)c1O.
What is the InChIKey of 2-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is KZVCUZPZNJZHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-10-6-2-1-4-8(10)13-17-14(20-18-13)9-5-3-7-11(16)12(9)19/h1-7,19H,16H2.
What are the key properties of 2-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
2-amino-6-[3-(2-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-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136712713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).