5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine

C8H5FN4O3 — CID 60875624

IUPAC5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cc(F)ccc2[N+](=O)[O-])o1
InChIInChI=1S/C8H5FN4O3/c9-4-1-2-6(13(14)15)5(3-4)7-11-12-8(10)16-7/h1-3H,(H2,10,12)
InChIKeyAYSBZBBZCHFBRJ-UHFFFAOYSA-N
MW224.15 g/mol
LogP1.37
Rot. Bonds2

About 5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine

5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 60875624) has the molecular formula C8H5FN4O3 and a molecular weight of 224.15 g/mol. Its IUPAC name is 5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID60875624
Molecular FormulaC8H5FN4O3
Molecular Weight224.15 g/mol
Exact Mass224.03
IUPAC Name5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cc(F)ccc2[N+](=O)[O-])o1
InChIInChI=1S/C8H5FN4O3/c9-4-1-2-6(13(14)15)5(3-4)7-11-12-8(10)16-7/h1-3H,(H2,10,12)
InChIKeyAYSBZBBZCHFBRJ-UHFFFAOYSA-N
XLogP1.37
TPSA108.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-methyl-2-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 65461215
(E)-3-[5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81258164
5-(4-chloro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 43148001
5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 63048941
N-[[5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62137598
3-chloro-5-(5-fluoro-2-nitrophenyl)-1,2,4-oxadiazole
CID 112572090
5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 71563503
2-(2,5-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole
CID 107123867
1,2,3,4,5-pentachloro-6-(5-fluoro-2-nitrophenyl)benzene
CID 134630100
2-(4,5-difluoro-2-nitrophenyl)-5-iodo-1,3,4-oxadiazole
CID 114771632
2-(5-fluoro-2-nitrophenyl)-5-iodo-1,3,4-thiadiazole
CID 63383357
4-ethyl-5-(5-fluoro-2-nitrophenyl)-1H-pyrazol-3-amine
CID 60877526

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine (CID 60875624) is 5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2cc(F)ccc2[N+](=O)[O-])o1.
What is the InChIKey of 5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is AYSBZBBZCHFBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN4O3/c9-4-1-2-6(13(14)15)5(3-4)7-11-12-8(10)16-7/h1-3H,(H2,10,12).
What are the key properties of 5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine?
5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 224.15 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 60875624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).