2-(4-chlorophenyl)-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine

C23H19ClFN3O — CID 15990192

IUPAC2-(4-chlorophenyl)-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESFc1ccccc1C(NCCc1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H19ClFN3O/c24-18-12-10-16(11-13-18)14-15-26-21(19-8-4-5-9-20(19)25)23-28-27-22(29-23)17-6-2-1-3-7-17/h1-13,21,26H,14-15H2
InChIKeyUBBKHPPSXJIFMA-UHFFFAOYSA-N
MW407.88 g/mol
LogP5.45
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine

2-(4-chlorophenyl)-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (PubChem CID 15990192) has the molecular formula C23H19ClFN3O and a molecular weight of 407.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
PubChem CID15990192
Molecular FormulaC23H19ClFN3O
Molecular Weight407.88 g/mol
Exact Mass407.12
IUPAC Name2-(4-chlorophenyl)-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESFc1ccccc1C(NCCc1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H19ClFN3O/c24-18-12-10-16(11-13-18)14-15-26-21(19-8-4-5-9-20(19)25)23-28-27-22(29-23)17-6-2-1-3-7-17/h1-13,21,26H,14-15H2
InChIKeyUBBKHPPSXJIFMA-UHFFFAOYSA-N
XLogP5.45
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.88
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (CID 15990192) is 2-(4-chlorophenyl)-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is Fc1ccccc1C(NCCc1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The InChIKey is UBBKHPPSXJIFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O/c24-18-12-10-16(11-13-18)14-15-26-21(19-8-4-5-9-20(19)25)23-28-27-22(29-23)17-6-2-1-3-7-17/h1-13,21,26H,14-15H2.
What are the key properties of 2-(4-chlorophenyl)-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
2-(4-chlorophenyl)-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine has a molecular weight of 407.88 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 15990192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).