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

C17H18FN3O — CID 89142804

IUPAC5-[3-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCc1cc(-c2cccc(C3(C)N=C(N)N(C)O3)c2)ccc1F
InChIInChI=1S/C17H18FN3O/c1-11-9-13(7-8-15(11)18)12-5-4-6-14(10-12)17(2)20-16(19)21(3)22-17/h4-10H,1-3H3,(H2,19,20)
InChIKeyDEXUQUPTIQYJTR-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.17
Rot. Bonds2

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

5-[3-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 89142804) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 5-[3-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[3-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID89142804
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name5-[3-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCc1cc(-c2cccc(C3(C)N=C(N)N(C)O3)c2)ccc1F
InChIInChI=1S/C17H18FN3O/c1-11-9-13(7-8-15(11)18)12-5-4-6-14(10-12)17(2)20-16(19)21(3)22-17/h4-10H,1-3H3,(H2,19,20)
InChIKeyDEXUQUPTIQYJTR-UHFFFAOYSA-N
XLogP3.17
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[3-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine (CID 89142804) is 5-[3-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[3-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[3-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine is Cc1cc(-c2cccc(C3(C)N=C(N)N(C)O3)c2)ccc1F.
What is the InChIKey of 5-[3-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is DEXUQUPTIQYJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-11-9-13(7-8-15(11)18)12-5-4-6-14(10-12)17(2)20-16(19)21(3)22-17/h4-10H,1-3H3,(H2,19,20).
What are the key properties of 5-[3-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?
5-[3-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 299.35 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluoro-3-methylphenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 89142804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).