4-fluoro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline

C14H10FN3O — CID 20971561

IUPAC4-fluoro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
SMILESNc1ccc(F)c(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C14H10FN3O/c15-12-7-6-10(16)8-11(12)14-18-17-13(19-14)9-4-2-1-3-5-9/h1-8H,16H2
InChIKeyFGGDSWFMEMAONT-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.12
Rot. Bonds2

About 4-fluoro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline

4-fluoro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 20971561) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 4-fluoro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name4-fluoro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID20971561
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name4-fluoro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
SMILESNc1ccc(F)c(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C14H10FN3O/c15-12-7-6-10(16)8-11(12)14-18-17-13(19-14)9-4-2-1-3-5-9/h1-8H,16H2
InChIKeyFGGDSWFMEMAONT-UHFFFAOYSA-N
XLogP3.12
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 4-fluoro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline (CID 20971561) is 4-fluoro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 4-fluoro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 4-fluoro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline is Nc1ccc(F)c(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 4-fluoro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is FGGDSWFMEMAONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-12-7-6-10(16)8-11(12)14-18-17-13(19-14)9-4-2-1-3-5-9/h1-8H,16H2.
What are the key properties of 4-fluoro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
4-fluoro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 255.25 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 20971561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).