2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline

C15H18FN3O — CID 63188328

IUPAC2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCC1CCCC(c2noc(-c3ccc(N)c(F)c3)n2)C1
InChIInChI=1S/C15H18FN3O/c1-9-3-2-4-10(7-9)14-18-15(20-19-14)11-5-6-13(17)12(16)8-11/h5-6,8-10H,2-4,7,17H2,1H3
InChIKeyFHGQMOSHACCQQH-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.75
Rot. Bonds2

About 2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline

2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 63188328) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID63188328
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCC1CCCC(c2noc(-c3ccc(N)c(F)c3)n2)C1
InChIInChI=1S/C15H18FN3O/c1-9-3-2-4-10(7-9)14-18-15(20-19-14)11-5-6-13(17)12(16)8-11/h5-6,8-10H,2-4,7,17H2,1H3
InChIKeyFHGQMOSHACCQQH-UHFFFAOYSA-N
XLogP3.75
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-[3-(3-methylcyclohexyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline (CID 63188328) is 2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline is CC1CCCC(c2noc(-c3ccc(N)c(F)c3)n2)C1.
What is the InChIKey of 2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is FHGQMOSHACCQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-9-3-2-4-10(7-9)14-18-15(20-19-14)11-5-6-13(17)12(16)8-11/h5-6,8-10H,2-4,7,17H2,1H3.
What are the key properties of 2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline?
2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 275.33 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 63188328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).