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

C14H10FN3O — CID 53299044

IUPACN-(4-fluorophenyl)-3-phenyl-1,2,4-oxadiazol-5-amine
SMILESFc1ccc(Nc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C14H10FN3O/c15-11-6-8-12(9-7-11)16-14-17-13(18-19-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18)
InChIKeyKRTFGFXATMTJDP-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.62
Rot. Bonds3

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

N-(4-fluorophenyl)-3-phenyl-1,2,4-oxadiazol-5-amine (PubChem CID 53299044) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-phenyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-phenyl-1,2,4-oxadiazol-5-amine
PubChem CID53299044
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC NameN-(4-fluorophenyl)-3-phenyl-1,2,4-oxadiazol-5-amine
SMILESFc1ccc(Nc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C14H10FN3O/c15-11-6-8-12(9-7-11)16-14-17-13(18-19-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18)
InChIKeyKRTFGFXATMTJDP-UHFFFAOYSA-N
XLogP3.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-phenyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(4-fluorophenyl)-3-phenyl-1,2,4-oxadiazol-5-amine (CID 53299044) is N-(4-fluorophenyl)-3-phenyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(4-fluorophenyl)-3-phenyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(4-fluorophenyl)-3-phenyl-1,2,4-oxadiazol-5-amine is Fc1ccc(Nc2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-phenyl-1,2,4-oxadiazol-5-amine?
The InChIKey is KRTFGFXATMTJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-11-6-8-12(9-7-11)16-14-17-13(18-19-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18).
What are the key properties of N-(4-fluorophenyl)-3-phenyl-1,2,4-oxadiazol-5-amine?
N-(4-fluorophenyl)-3-phenyl-1,2,4-oxadiazol-5-amine has a molecular weight of 255.25 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-phenyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 53299044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).