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

C14H9F2N3O — CID 53299048

IUPAC3-(2-fluorophenyl)-N-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine
SMILESFc1ccc(Nc2nc(-c3ccccc3F)no2)cc1
InChIInChI=1S/C14H9F2N3O/c15-9-5-7-10(8-6-9)17-14-18-13(19-20-14)11-3-1-2-4-12(11)16/h1-8H,(H,17,18,19)
InChIKeyOTQDNEKSZDOHQS-UHFFFAOYSA-N
MW273.24 g/mol
LogP3.76
Rot. Bonds3

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

3-(2-fluorophenyl)-N-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 53299048) has the molecular formula C14H9F2N3O and a molecular weight of 273.24 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine
PubChem CID53299048
Molecular FormulaC14H9F2N3O
Molecular Weight273.24 g/mol
Exact Mass273.07
IUPAC Name3-(2-fluorophenyl)-N-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine
SMILESFc1ccc(Nc2nc(-c3ccccc3F)no2)cc1
InChIInChI=1S/C14H9F2N3O/c15-9-5-7-10(8-6-9)17-14-18-13(19-20-14)11-3-1-2-4-12(11)16/h1-8H,(H,17,18,19)
InChIKeyOTQDNEKSZDOHQS-UHFFFAOYSA-N
XLogP3.76
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 53.76
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-fluorophenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine (CID 53299048) is 3-(2-fluorophenyl)-N-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine is Fc1ccc(Nc2nc(-c3ccccc3F)no2)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is OTQDNEKSZDOHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O/c15-9-5-7-10(8-6-9)17-14-18-13(19-20-14)11-3-1-2-4-12(11)16/h1-8H,(H,17,18,19).
What are the key properties of 3-(2-fluorophenyl)-N-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine?
3-(2-fluorophenyl)-N-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 273.24 g/mol, XLogP of 3.76, 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-fluorophenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 53299048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).