2-[3-(1,8-naphthyridin-2-yl)propyl]-5-[4-[3-(trifluoromethyl)phenyl]phenyl]-1,3,4-oxadiazole

C26H19F3N4O — CID 71458497

IUPAC2-[3-(1,8-naphthyridin-2-yl)propyl]-5-[4-[3-(trifluoromethyl)phenyl]phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2ccc(-c3nnc(CCCc4ccc5cccnc5n4)o3)cc2)c1
InChIInChI=1S/C26H19F3N4O/c27-26(28,29)21-6-1-4-20(16-21)17-9-11-19(12-10-17)25-33-32-23(34-25)8-2-7-22-14-13-18-5-3-15-30-24(18)31-22/h1,3-6,9-16H,2,7-8H2
InChIKeyDWARFXPBXZYWSX-UHFFFAOYSA-N
MW460.46 g/mol
LogP6.54
Rot. Bonds6

About 2-[3-(1,8-naphthyridin-2-yl)propyl]-5-[4-[3-(trifluoromethyl)phenyl]phenyl]-1,3,4-oxadiazole

2-[3-(1,8-naphthyridin-2-yl)propyl]-5-[4-[3-(trifluoromethyl)phenyl]phenyl]-1,3,4-oxadiazole (PubChem CID 71458497) has the molecular formula C26H19F3N4O and a molecular weight of 460.46 g/mol. Its IUPAC name is 2-[3-(1,8-naphthyridin-2-yl)propyl]-5-[4-[3-(trifluoromethyl)phenyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-(1,8-naphthyridin-2-yl)propyl]-5-[4-[3-(trifluoromethyl)phenyl]phenyl]-1,3,4-oxadiazole
PubChem CID71458497
Molecular FormulaC26H19F3N4O
Molecular Weight460.46 g/mol
Exact Mass460.15
IUPAC Name2-[3-(1,8-naphthyridin-2-yl)propyl]-5-[4-[3-(trifluoromethyl)phenyl]phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2ccc(-c3nnc(CCCc4ccc5cccnc5n4)o3)cc2)c1
InChIInChI=1S/C26H19F3N4O/c27-26(28,29)21-6-1-4-20(16-21)17-9-11-19(12-10-17)25-33-32-23(34-25)8-2-7-22-14-13-18-5-3-15-30-24(18)31-22/h1,3-6,9-16H,2,7-8H2
InChIKeyDWARFXPBXZYWSX-UHFFFAOYSA-N
XLogP6.54
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.46
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(1,8-naphthyridin-2-yl)propyl]-5-[4-[3-(trifluoromethyl)phenyl]phenyl]-1,3,4-oxadiazole 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 2-[3-(1,8-naphthyridin-2-yl)propyl]-5-[4-[3-(trifluoromethyl)phenyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[3-(1,8-naphthyridin-2-yl)propyl]-5-[4-[3-(trifluoromethyl)phenyl]phenyl]-1,3,4-oxadiazole (CID 71458497) is 2-[3-(1,8-naphthyridin-2-yl)propyl]-5-[4-[3-(trifluoromethyl)phenyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-(1,8-naphthyridin-2-yl)propyl]-5-[4-[3-(trifluoromethyl)phenyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-(1,8-naphthyridin-2-yl)propyl]-5-[4-[3-(trifluoromethyl)phenyl]phenyl]-1,3,4-oxadiazole is FC(F)(F)c1cccc(-c2ccc(-c3nnc(CCCc4ccc5cccnc5n4)o3)cc2)c1.
What is the InChIKey of 2-[3-(1,8-naphthyridin-2-yl)propyl]-5-[4-[3-(trifluoromethyl)phenyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is DWARFXPBXZYWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N4O/c27-26(28,29)21-6-1-4-20(16-21)17-9-11-19(12-10-17)25-33-32-23(34-25)8-2-7-22-14-13-18-5-3-15-30-24(18)31-22/h1,3-6,9-16H,2,7-8H2.
What are the key properties of 2-[3-(1,8-naphthyridin-2-yl)propyl]-5-[4-[3-(trifluoromethyl)phenyl]phenyl]-1,3,4-oxadiazole?
2-[3-(1,8-naphthyridin-2-yl)propyl]-5-[4-[3-(trifluoromethyl)phenyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 460.46 g/mol, XLogP of 6.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,8-naphthyridin-2-yl)propyl]-5-[4-[3-(trifluoromethyl)phenyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 71458497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).