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

C20H14FN3O3 — CID 136961500

IUPAC2-amino-4-[3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESNc1cc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)ccc1O
InChIInChI=1S/C20H14FN3O3/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)19-23-20(27-24-19)13-3-10-18(25)17(22)11-13/h1-11,25H,22H2
InChIKeyHOACTXYZMBEFFZ-UHFFFAOYSA-N
MW363.35 g/mol
LogP4.62
Rot. Bonds4

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

2-amino-4-[3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136961500) has the molecular formula C20H14FN3O3 and a molecular weight of 363.35 g/mol. Its IUPAC name is 2-amino-4-[3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-amino-4-[3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136961500
Molecular FormulaC20H14FN3O3
Molecular Weight363.35 g/mol
Exact Mass363.10
IUPAC Name2-amino-4-[3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESNc1cc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)ccc1O
InChIInChI=1S/C20H14FN3O3/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)19-23-20(27-24-19)13-3-10-18(25)17(22)11-13/h1-11,25H,22H2
InChIKeyHOACTXYZMBEFFZ-UHFFFAOYSA-N
XLogP4.62
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 54.62
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

3-[4-[4-(Trifluoromethyl)phenoxy]phenyl]-5-(4-aminophenyl)-1,2,4-oxadiazole
CID 25254493
4-(4-(5-(4-Fluorophenyl)-1,2,4-oxadiazol-3-yl)phenoxy)phenol
CID 25254808
4-[3-(4-Phenoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 118730430
2-Fluoro-4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]aniline
CID 118730561
2,6-Difluoro-4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]aniline
CID 118730563
4-[3-[4-(4-Fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]aniline
CID 118730575
2-Fluoro-4-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 118730588
2-Methoxy-4-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 118730589
5-(4-Methoxy-3-nitrophenyl)-3-(4-phenoxyphenyl)-1,2,4-oxadiazole
CID 118730594
5-(4-Methoxy-3-nitrophenyl)-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazole
CID 118730595
3-[4-(4-Fluorophenoxy)phenyl]-5-(4-methoxy-3-nitrophenyl)-1,2,4-oxadiazole
CID 118730596
2-Methoxy-5-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 118730597

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-amino-4-[3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol (CID 136961500) is 2-amino-4-[3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-amino-4-[3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-amino-4-[3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol is Nc1cc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)ccc1O.
What is the InChIKey of 2-amino-4-[3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is HOACTXYZMBEFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)19-23-20(27-24-19)13-3-10-18(25)17(22)11-13/h1-11,25H,22H2.
What are the key properties of 2-amino-4-[3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol?
2-amino-4-[3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 363.35 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136961500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).