[5-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazol-2-yl]methanol

C15H7F6N5O2 — CID 142297931

IUPAC[5-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazol-2-yl]methanol
SMILESOCc1nnc(-c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)o1
InChIInChI=1S/C15H7F6N5O2/c16-14(17,18)7-3-9(15(19,20)21)23-12-6(7)1-2-10-22-8(4-26(10)12)13-25-24-11(5-27)28-13/h1-4,27H,5H2
InChIKeyITUODFVGNJZSJL-UHFFFAOYSA-N
MW403.24 g/mol
LogP3.46
Rot. Bonds2

About [5-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazol-2-yl]methanol

[5-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazol-2-yl]methanol (PubChem CID 142297931) has the molecular formula C15H7F6N5O2 and a molecular weight of 403.24 g/mol. Its IUPAC name is [5-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazol-2-yl]methanol
PubChem CID142297931
Molecular FormulaC15H7F6N5O2
Molecular Weight403.24 g/mol
Exact Mass403.05
IUPAC Name[5-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazol-2-yl]methanol
SMILESOCc1nnc(-c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)o1
InChIInChI=1S/C15H7F6N5O2/c16-14(17,18)7-3-9(15(19,20)21)23-12-6(7)1-2-10-22-8(4-26(10)12)13-25-24-11(5-27)28-13/h1-4,27H,5H2
InChIKeyITUODFVGNJZSJL-UHFFFAOYSA-N
XLogP3.46
TPSA89.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazol-2-yl]methanol?
The IUPAC name of [5-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazol-2-yl]methanol (CID 142297931) is [5-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazol-2-yl]methanol.
What is the SMILES notation for [5-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazol-2-yl]methanol?
The canonical SMILES for [5-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazol-2-yl]methanol is OCc1nnc(-c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)o1.
What is the InChIKey of [5-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazol-2-yl]methanol?
The InChIKey is ITUODFVGNJZSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F6N5O2/c16-14(17,18)7-3-9(15(19,20)21)23-12-6(7)1-2-10-22-8(4-26(10)12)13-25-24-11(5-27)28-13/h1-4,27H,5H2.
What are the key properties of [5-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazol-2-yl]methanol?
[5-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazol-2-yl]methanol has a molecular weight of 403.24 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazol-2-yl]methanol is sourced from PubChem (CID 142297931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).