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

C17H8ClF3N4O — CID 11090139

IUPAC2-(4-chlorophenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1nc2ncccc2cc1-c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H8ClF3N4O/c18-11-5-3-9(4-6-11)15-24-25-16(26-15)12-8-10-2-1-7-22-14(10)23-13(12)17(19,20)21/h1-8H
InChIKeyLYJOQMOUBIWZJT-UHFFFAOYSA-N
MW376.73 g/mol
LogP5.02
Rot. Bonds2

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

2-(4-chlorophenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole (PubChem CID 11090139) has the molecular formula C17H8ClF3N4O and a molecular weight of 376.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole
PubChem CID11090139
Molecular FormulaC17H8ClF3N4O
Molecular Weight376.73 g/mol
Exact Mass376.03
IUPAC Name2-(4-chlorophenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1nc2ncccc2cc1-c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H8ClF3N4O/c18-11-5-3-9(4-6-11)15-24-25-16(26-15)12-8-10-2-1-7-22-14(10)23-13(12)17(19,20)21/h1-8H
InChIKeyLYJOQMOUBIWZJT-UHFFFAOYSA-N
XLogP5.02
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.73
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole (CID 11090139) is 2-(4-chlorophenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole is FC(F)(F)c1nc2ncccc2cc1-c1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole?
The InChIKey is LYJOQMOUBIWZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8ClF3N4O/c18-11-5-3-9(4-6-11)15-24-25-16(26-15)12-8-10-2-1-7-22-14(10)23-13(12)17(19,20)21/h1-8H.
What are the key properties of 2-(4-chlorophenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole has a molecular weight of 376.73 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 11090139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).