ethane;2-[2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole

C19H17F8N5O — CID 170622725

IUPACethane;2-[2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole
SMILESCC.CC.FC(F)(F)c1cc(C(F)(F)C(F)(F)F)nc2c1ccc1nc(-c3nnco3)cn12
InChIInChI=1S/C15H5F8N5O.2C2H6/c16-13(17,15(21,22)23)9-3-7(14(18,19)20)6-1-2-10-25-8(12-27-24-5-29-12)4-28(10)11(6)26-9;2*1-2/h1-5H;2*1-2H3
InChIKeyCGVABLILLSOFFW-UHFFFAOYSA-N
MW483.36 g/mol
LogP6.66
Rot. Bonds2

About ethane;2-[2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole

ethane;2-[2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole (PubChem CID 170622725) has the molecular formula C19H17F8N5O and a molecular weight of 483.36 g/mol. Its IUPAC name is ethane;2-[2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Nameethane;2-[2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole
PubChem CID170622725
Molecular FormulaC19H17F8N5O
Molecular Weight483.36 g/mol
Exact Mass483.13
IUPAC Nameethane;2-[2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole
SMILESCC.CC.FC(F)(F)c1cc(C(F)(F)C(F)(F)F)nc2c1ccc1nc(-c3nnco3)cn12
InChIInChI=1S/C15H5F8N5O.2C2H6/c16-13(17,15(21,22)23)9-3-7(14(18,19)20)6-1-2-10-25-8(12-27-24-5-29-12)4-28(10)11(6)26-9;2*1-2/h1-5H;2*1-2H3
InChIKeyCGVABLILLSOFFW-UHFFFAOYSA-N
XLogP6.66
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.36
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze ethane;2-[2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole?
The IUPAC name of ethane;2-[2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole (CID 170622725) is ethane;2-[2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole.
What is the SMILES notation for ethane;2-[2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole?
The canonical SMILES for ethane;2-[2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole is CC.CC.FC(F)(F)c1cc(C(F)(F)C(F)(F)F)nc2c1ccc1nc(-c3nnco3)cn12.
What is the InChIKey of ethane;2-[2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole?
The InChIKey is CGVABLILLSOFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H5F8N5O.2C2H6/c16-13(17,15(21,22)23)9-3-7(14(18,19)20)6-1-2-10-25-8(12-27-24-5-29-12)4-28(10)11(6)26-9;2*1-2/h1-5H;2*1-2H3.
What are the key properties of ethane;2-[2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole?
ethane;2-[2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole has a molecular weight of 483.36 g/mol, XLogP of 6.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 170622725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).