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

C12H13FN4O2 — CID 116807492

IUPAC2-fluoro-5-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
SMILESNc1cc(-c2nc(N3CCOCC3)no2)ccc1F
InChIInChI=1S/C12H13FN4O2/c13-9-2-1-8(7-10(9)14)11-15-12(16-19-11)17-3-5-18-6-4-17/h1-2,7H,3-6,14H2
InChIKeyOWSSIMCHMQDZTK-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.29
Rot. Bonds2

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

2-fluoro-5-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 116807492) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-fluoro-5-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound Name2-fluoro-5-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID116807492
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name2-fluoro-5-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
SMILESNc1cc(-c2nc(N3CCOCC3)no2)ccc1F
InChIInChI=1S/C12H13FN4O2/c13-9-2-1-8(7-10(9)14)11-15-12(16-19-11)17-3-5-18-6-4-17/h1-2,7H,3-6,14H2
InChIKeyOWSSIMCHMQDZTK-UHFFFAOYSA-N
XLogP1.29
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-fluoro-5-(3-morpholin-4-yl-1,2,4-oxadiazol-5-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

Related Compounds

3-fluoro-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 116807548
3-fluoro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 107795630
2,6-dichloro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 116807469
5-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-2-bromoaniline
CID 107813852
4-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 116807505
5-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 82788331
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 60836564
2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 60836750
2-fluoro-5-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79077241
2-fluoro-5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 61392899
4-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 147324404
5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 79078355

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of 2-fluoro-5-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline (CID 116807492) is 2-fluoro-5-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for 2-fluoro-5-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for 2-fluoro-5-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline is Nc1cc(-c2nc(N3CCOCC3)no2)ccc1F.
What is the InChIKey of 2-fluoro-5-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is OWSSIMCHMQDZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c13-9-2-1-8(7-10(9)14)11-15-12(16-19-11)17-3-5-18-6-4-17/h1-2,7H,3-6,14H2.
What are the key properties of 2-fluoro-5-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
2-fluoro-5-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 264.26 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 116807492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).