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

C15H12FN3O — CID 71694581

IUPAC3-(2-fluorophenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCc1ccc(Nc2nc(-c3ccccc3F)no2)cc1
InChIInChI=1S/C15H12FN3O/c1-10-6-8-11(9-7-10)17-15-18-14(19-20-15)12-4-2-3-5-13(12)16/h2-9H,1H3,(H,17,18,19)
InChIKeyIKQZRIPFYLOFLR-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.93
Rot. Bonds3

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

3-(2-fluorophenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 71694581) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID71694581
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name3-(2-fluorophenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCc1ccc(Nc2nc(-c3ccccc3F)no2)cc1
InChIInChI=1S/C15H12FN3O/c1-10-6-8-11(9-7-10)17-15-18-14(19-20-15)12-4-2-3-5-13(12)16/h2-9H,1H3,(H,17,18,19)
InChIKeyIKQZRIPFYLOFLR-UHFFFAOYSA-N
XLogP3.93
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine (CID 71694581) is 3-(2-fluorophenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine is Cc1ccc(Nc2nc(-c3ccccc3F)no2)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is IKQZRIPFYLOFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-10-6-8-11(9-7-10)17-15-18-14(19-20-15)12-4-2-3-5-13(12)16/h2-9H,1H3,(H,17,18,19).
What are the key properties of 3-(2-fluorophenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine?
3-(2-fluorophenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 269.28 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(4-methylphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 71694581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).