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

C17H9F3N4O — CID 10893238

IUPAC2-phenyl-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1nc2ncccc2cc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H9F3N4O/c18-17(19,20)13-12(9-11-7-4-8-21-14(11)22-13)16-24-23-15(25-16)10-5-2-1-3-6-10/h1-9H
InChIKeyWADUGGGNMLJPLO-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.37
Rot. Bonds2

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

2-phenyl-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole (PubChem CID 10893238) has the molecular formula C17H9F3N4O and a molecular weight of 342.28 g/mol. Its IUPAC name is 2-phenyl-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole
PubChem CID10893238
Molecular FormulaC17H9F3N4O
Molecular Weight342.28 g/mol
Exact Mass342.07
IUPAC Name2-phenyl-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1nc2ncccc2cc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H9F3N4O/c18-17(19,20)13-12(9-11-7-4-8-21-14(11)22-13)16-24-23-15(25-16)10-5-2-1-3-6-10/h1-9H
InChIKeyWADUGGGNMLJPLO-UHFFFAOYSA-N
XLogP4.37
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole (CID 10893238) is 2-phenyl-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole is FC(F)(F)c1nc2ncccc2cc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-phenyl-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole?
The InChIKey is WADUGGGNMLJPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N4O/c18-17(19,20)13-12(9-11-7-4-8-21-14(11)22-13)16-24-23-15(25-16)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 2-phenyl-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole?
2-phenyl-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole has a molecular weight of 342.28 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 10893238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).