5-[2-[4-(4-fluorophenyl)phenyl]-1,6-naphthyridin-4-yl]-1,3,4-oxadiazol-2-amine

C22H14FN5O — CID 77105885

IUPAC5-[2-[4-(4-fluorophenyl)phenyl]-1,6-naphthyridin-4-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cc(-c3ccc(-c4ccc(F)cc4)cc3)nc3ccncc23)o1
InChIInChI=1S/C22H14FN5O/c23-16-7-5-14(6-8-16)13-1-3-15(4-2-13)20-11-17(21-27-28-22(24)29-21)18-12-25-10-9-19(18)26-20/h1-12H,(H2,24,28)
InChIKeyDNRYLUFEODFAEY-UHFFFAOYSA-N
MW383.39 g/mol
LogP4.74
Rot. Bonds3

About 5-[2-[4-(4-fluorophenyl)phenyl]-1,6-naphthyridin-4-yl]-1,3,4-oxadiazol-2-amine

5-[2-[4-(4-fluorophenyl)phenyl]-1,6-naphthyridin-4-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 77105885) has the molecular formula C22H14FN5O and a molecular weight of 383.39 g/mol. Its IUPAC name is 5-[2-[4-(4-fluorophenyl)phenyl]-1,6-naphthyridin-4-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[2-[4-(4-fluorophenyl)phenyl]-1,6-naphthyridin-4-yl]-1,3,4-oxadiazol-2-amine
PubChem CID77105885
Molecular FormulaC22H14FN5O
Molecular Weight383.39 g/mol
Exact Mass383.12
IUPAC Name5-[2-[4-(4-fluorophenyl)phenyl]-1,6-naphthyridin-4-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cc(-c3ccc(-c4ccc(F)cc4)cc3)nc3ccncc23)o1
InChIInChI=1S/C22H14FN5O/c23-16-7-5-14(6-8-16)13-1-3-15(4-2-13)20-11-17(21-27-28-22(24)29-21)18-12-25-10-9-19(18)26-20/h1-12H,(H2,24,28)
InChIKeyDNRYLUFEODFAEY-UHFFFAOYSA-N
XLogP4.74
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-[4-(4-fluorophenyl)phenyl]-1,6-naphthyridin-4-yl]-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4-fluorophenyl)phenyl]-1,6-naphthyridin-4-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[2-[4-(4-fluorophenyl)phenyl]-1,6-naphthyridin-4-yl]-1,3,4-oxadiazol-2-amine (CID 77105885) is 5-[2-[4-(4-fluorophenyl)phenyl]-1,6-naphthyridin-4-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[2-[4-(4-fluorophenyl)phenyl]-1,6-naphthyridin-4-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[2-[4-(4-fluorophenyl)phenyl]-1,6-naphthyridin-4-yl]-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2cc(-c3ccc(-c4ccc(F)cc4)cc3)nc3ccncc23)o1.
What is the InChIKey of 5-[2-[4-(4-fluorophenyl)phenyl]-1,6-naphthyridin-4-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is DNRYLUFEODFAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN5O/c23-16-7-5-14(6-8-16)13-1-3-15(4-2-13)20-11-17(21-27-28-22(24)29-21)18-12-25-10-9-19(18)26-20/h1-12H,(H2,24,28).
What are the key properties of 5-[2-[4-(4-fluorophenyl)phenyl]-1,6-naphthyridin-4-yl]-1,3,4-oxadiazol-2-amine?
5-[2-[4-(4-fluorophenyl)phenyl]-1,6-naphthyridin-4-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 383.39 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-fluorophenyl)phenyl]-1,6-naphthyridin-4-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 77105885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).