[3-[2-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazol-5-yl]methanol

C17H14FN5O2 — CID 146043174

IUPAC[3-[2-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(CCn2ccnc2-c2ccc3cccc(F)c3n2)no1
InChIInChI=1S/C17H14FN5O2/c18-12-3-1-2-11-4-5-13(20-16(11)12)17-19-7-9-23(17)8-6-14-21-15(10-24)25-22-14/h1-5,7,9,24H,6,8,10H2
InChIKeyHGAHRJGDNZGLFU-UHFFFAOYSA-N
MW339.33 g/mol
LogP2.36
Rot. Bonds5

About [3-[2-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazol-5-yl]methanol

[3-[2-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 146043174) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is [3-[2-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[2-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazol-5-yl]methanol
PubChem CID146043174
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC Name[3-[2-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(CCn2ccnc2-c2ccc3cccc(F)c3n2)no1
InChIInChI=1S/C17H14FN5O2/c18-12-3-1-2-11-4-5-13(20-16(11)12)17-19-7-9-23(17)8-6-14-21-15(10-24)25-22-14/h1-5,7,9,24H,6,8,10H2
InChIKeyHGAHRJGDNZGLFU-UHFFFAOYSA-N
XLogP2.36
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-[2-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazol-5-yl]methanol with MolForge

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Related Compounds

3-tert-butyl-5-[[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 146044437
5-(2,6-difluorophenyl)-3-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 155493383
8-methoxy-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]quinoline
CID 56910045
(8-fluoroquinolin-2-yl)-(2-methylimidazol-1-yl)methanone
CID 110464500
4-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid
CID 166615913
[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanol
CID 66085611
5-(oxolan-2-yl)-3-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole
CID 70765799
3-[[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 146046045
5-(2-fluorophenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 53015258
2-[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]ethanol
CID 82560649
2,6-bis(1-ethylimidazol-2-yl)pyridine;cobalt(3+);trichloride
CID 70011500
2-[1-[2-(1H-benzimidazol-2-yl)ethyl]imidazol-2-yl]quinoline
CID 56879841

Frequently Asked Questions

What is the IUPAC name of [3-[2-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-[2-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazol-5-yl]methanol (CID 146043174) is [3-[2-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-[2-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-[2-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazol-5-yl]methanol is OCc1nc(CCn2ccnc2-c2ccc3cccc(F)c3n2)no1.
What is the InChIKey of [3-[2-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is HGAHRJGDNZGLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c18-12-3-1-2-11-4-5-13(20-16(11)12)17-19-7-9-23(17)8-6-14-21-15(10-24)25-22-14/h1-5,7,9,24H,6,8,10H2.
What are the key properties of [3-[2-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazol-5-yl]methanol?
[3-[2-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 339.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 146043174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).