5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2,4-oxadiazol-3-amine

C16H14FN3O — CID 15676092

IUPAC5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2,4-oxadiazol-3-amine
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1nc(N)no1
InChIInChI=1S/C16H14FN3O/c1-10(15-19-16(18)20-21-15)12-7-8-13(14(17)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,20)
InChIKeyMKXLNOQPJHJHGZ-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.61
Rot. Bonds3

About 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2,4-oxadiazol-3-amine

5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2,4-oxadiazol-3-amine (PubChem CID 15676092) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2,4-oxadiazol-3-amine
PubChem CID15676092
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2,4-oxadiazol-3-amine
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1nc(N)no1
InChIInChI=1S/C16H14FN3O/c1-10(15-19-16(18)20-21-15)12-7-8-13(14(17)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,20)
InChIKeyMKXLNOQPJHJHGZ-UHFFFAOYSA-N
XLogP3.61
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2,4-oxadiazol-3-amine (CID 15676092) is 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2,4-oxadiazol-3-amine is CC(c1ccc(-c2ccccc2)c(F)c1)c1nc(N)no1.
What is the InChIKey of 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is MKXLNOQPJHJHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10(15-19-16(18)20-21-15)12-7-8-13(14(17)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,20).
What are the key properties of 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2,4-oxadiazol-3-amine?
5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 283.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 15676092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).