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

C15H8F3N5O — CID 170622845

IUPAC2-[2-ethenyl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole
SMILESC=Cc1cc(C(F)(F)F)c2ccc3nc(-c4nnco4)cn3c2n1
InChIInChI=1S/C15H8F3N5O/c1-2-8-5-10(15(16,17)18)9-3-4-12-21-11(14-22-19-7-24-14)6-23(12)13(9)20-8/h2-7H,1H2
InChIKeyDVUCJEMRNDMZHN-UHFFFAOYSA-N
MW331.26 g/mol
LogP3.59
Rot. Bonds2

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

2-[2-ethenyl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole (PubChem CID 170622845) has the molecular formula C15H8F3N5O and a molecular weight of 331.26 g/mol. Its IUPAC name is 2-[2-ethenyl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-ethenyl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole
PubChem CID170622845
Molecular FormulaC15H8F3N5O
Molecular Weight331.26 g/mol
Exact Mass331.07
IUPAC Name2-[2-ethenyl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole
SMILESC=Cc1cc(C(F)(F)F)c2ccc3nc(-c4nnco4)cn3c2n1
InChIInChI=1S/C15H8F3N5O/c1-2-8-5-10(15(16,17)18)9-3-4-12-21-11(14-22-19-7-24-14)6-23(12)13(9)20-8/h2-7H,1H2
InChIKeyDVUCJEMRNDMZHN-UHFFFAOYSA-N
XLogP3.59
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethenyl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-ethenyl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole (CID 170622845) is 2-[2-ethenyl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-ethenyl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-ethenyl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole is C=Cc1cc(C(F)(F)F)c2ccc3nc(-c4nnco4)cn3c2n1.
What is the InChIKey of 2-[2-ethenyl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole?
The InChIKey is DVUCJEMRNDMZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N5O/c1-2-8-5-10(15(16,17)18)9-3-4-12-21-11(14-22-19-7-24-14)6-23(12)13(9)20-8/h2-7H,1H2.
What are the key properties of 2-[2-ethenyl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole?
2-[2-ethenyl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole has a molecular weight of 331.26 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethenyl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 170622845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).