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

C15H11F2N3O — CID 71694580

IUPACN-(3-fluoro-4-methylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine
SMILESCc1ccc(Nc2nc(-c3ccccc3F)no2)cc1F
InChIInChI=1S/C15H11F2N3O/c1-9-6-7-10(8-13(9)17)18-15-19-14(20-21-15)11-4-2-3-5-12(11)16/h2-8H,1H3,(H,18,19,20)
InChIKeyLHGVQCCCGZTQKA-UHFFFAOYSA-N
MW287.27 g/mol
LogP4.07
Rot. Bonds3

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

N-(3-fluoro-4-methylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 71694580) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine
PubChem CID71694580
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC NameN-(3-fluoro-4-methylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine
SMILESCc1ccc(Nc2nc(-c3ccccc3F)no2)cc1F
InChIInChI=1S/C15H11F2N3O/c1-9-6-7-10(8-13(9)17)18-15-19-14(20-21-15)11-4-2-3-5-12(11)16/h2-8H,1H3,(H,18,19,20)
InChIKeyLHGVQCCCGZTQKA-UHFFFAOYSA-N
XLogP4.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine (CID 71694580) is N-(3-fluoro-4-methylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine is Cc1ccc(Nc2nc(-c3ccccc3F)no2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is LHGVQCCCGZTQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c1-9-6-7-10(8-13(9)17)18-15-19-14(20-21-15)11-4-2-3-5-12(11)16/h2-8H,1H3,(H,18,19,20).
What are the key properties of N-(3-fluoro-4-methylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine?
N-(3-fluoro-4-methylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 287.27 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 71694580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).