5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine

C16H16FN3O — CID 59262532

IUPAC5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN1OC(C)(c2cccc(-c3cccc(F)c3)c2)N=C1N
InChIInChI=1S/C16H16FN3O/c1-16(19-15(18)20(2)21-16)13-7-3-5-11(9-13)12-6-4-8-14(17)10-12/h3-10H,1-2H3,(H2,18,19)
InChIKeyNBVIQOFXDUWCSH-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.86
Rot. Bonds2

About 5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine

5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 59262532) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID59262532
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN1OC(C)(c2cccc(-c3cccc(F)c3)c2)N=C1N
InChIInChI=1S/C16H16FN3O/c1-16(19-15(18)20(2)21-16)13-7-3-5-11(9-13)12-6-4-8-14(17)10-12/h3-10H,1-2H3,(H2,18,19)
InChIKeyNBVIQOFXDUWCSH-UHFFFAOYSA-N
XLogP2.86
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine (CID 59262532) is 5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine is CN1OC(C)(c2cccc(-c3cccc(F)c3)c2)N=C1N.
What is the InChIKey of 5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is NBVIQOFXDUWCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-16(19-15(18)20(2)21-16)13-7-3-5-11(9-13)12-6-4-8-14(17)10-12/h3-10H,1-2H3,(H2,18,19).
What are the key properties of 5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?
5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 285.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 59262532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).