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

C9H8FN3O — CID 70332596

IUPAC2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
SMILESCc1nc(-c2ccc(N)c(F)c2)no1
InChIInChI=1S/C9H8FN3O/c1-5-12-9(13-14-5)6-2-3-8(11)7(10)4-6/h2-4H,11H2,1H3
InChIKeyZCORORKWQLADHA-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.77
Rot. Bonds1

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

2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)aniline (PubChem CID 70332596) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)aniline.

Molecular Properties

Compound Name2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
PubChem CID70332596
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
SMILESCc1nc(-c2ccc(N)c(F)c2)no1
InChIInChI=1S/C9H8FN3O/c1-5-12-9(13-14-5)6-2-3-8(11)7(10)4-6/h2-4H,11H2,1H3
InChIKeyZCORORKWQLADHA-UHFFFAOYSA-N
XLogP1.77
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)aniline?
The IUPAC name of 2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)aniline (CID 70332596) is 2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)aniline.
What is the SMILES notation for 2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)aniline?
The canonical SMILES for 2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)aniline is Cc1nc(-c2ccc(N)c(F)c2)no1.
What is the InChIKey of 2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)aniline?
The InChIKey is ZCORORKWQLADHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c1-5-12-9(13-14-5)6-2-3-8(11)7(10)4-6/h2-4H,11H2,1H3.
What are the key properties of 2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)aniline?
2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)aniline has a molecular weight of 193.18 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)aniline is sourced from PubChem (CID 70332596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).