4-(3-fluorophenyl)-1,2,5-oxadiazol-3-amine

C8H6FN3O — CID 62501532

IUPAC4-(3-fluorophenyl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1cccc(F)c1
InChIInChI=1S/C8H6FN3O/c9-6-3-1-2-5(4-6)7-8(10)12-13-11-7/h1-4H,(H2,10,12)
InChIKeyDBEASHXMUKTORQ-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.46
Rot. Bonds1

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

4-(3-fluorophenyl)-1,2,5-oxadiazol-3-amine (PubChem CID 62501532) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1,2,5-oxadiazol-3-amine
PubChem CID62501532
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC Name4-(3-fluorophenyl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1cccc(F)c1
InChIInChI=1S/C8H6FN3O/c9-6-3-1-2-5(4-6)7-8(10)12-13-11-7/h1-4H,(H2,10,12)
InChIKeyDBEASHXMUKTORQ-UHFFFAOYSA-N
XLogP1.46
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(3-fluorophenyl)-1,2,5-oxadiazol-3-amine (CID 62501532) is 4-(3-fluorophenyl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(3-fluorophenyl)-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-1,2,5-oxadiazol-3-amine?
The InChIKey is DBEASHXMUKTORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c9-6-3-1-2-5(4-6)7-8(10)12-13-11-7/h1-4H,(H2,10,12).
What are the key properties of 4-(3-fluorophenyl)-1,2,5-oxadiazol-3-amine?
4-(3-fluorophenyl)-1,2,5-oxadiazol-3-amine has a molecular weight of 179.15 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 62501532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).