3-tert-butyl-5-[[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole

C19H18FN5O — CID 146044437

IUPAC3-tert-butyl-5-[[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1noc(Cn2ccnc2-c2ccc3cccc(F)c3n2)n1
InChIInChI=1S/C19H18FN5O/c1-19(2,3)18-23-15(26-24-18)11-25-10-9-21-17(25)14-8-7-12-5-4-6-13(20)16(12)22-14/h4-10H,11H2,1-3H3
InChIKeyDCXYASIQNAAWOK-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.97
Rot. Bonds3

About 3-tert-butyl-5-[[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole

3-tert-butyl-5-[[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 146044437) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 3-tert-butyl-5-[[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-[[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID146044437
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name3-tert-butyl-5-[[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1noc(Cn2ccnc2-c2ccc3cccc(F)c3n2)n1
InChIInChI=1S/C19H18FN5O/c1-19(2,3)18-23-15(26-24-18)11-25-10-9-21-17(25)14-8-7-12-5-4-6-13(20)16(12)22-14/h4-10H,11H2,1-3H3
InChIKeyDCXYASIQNAAWOK-UHFFFAOYSA-N
XLogP3.97
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-tert-butyl-5-[[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

[3-[2-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazol-5-yl]methanol
CID 146043174
3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
CID 58523710
5-(2,6-difluorophenyl)-3-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 155493383
3-[[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 146046045
(3S,3aR,6R,6aR)-3-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;formic acid
CID 166598620
4-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]cyclohexane-1-carboxylic acid
CID 166615913
(8-fluoroquinolin-2-yl)-(2-methylimidazol-1-yl)methanone
CID 110464500
2,6-bis(1-ethylimidazol-2-yl)pyridine;cobalt(3+);trichloride
CID 70011500
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-fluoro-6-pyrrolidin-1-ylaniline
CID 122141409
(1S)-1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-yl]ethanol
CID 99624009
3-tert-butyl-5-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 146125914
8-methoxy-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]quinoline
CID 56910045

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-[[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole (CID 146044437) is 3-tert-butyl-5-[[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-[[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-[[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole is CC(C)(C)c1noc(Cn2ccnc2-c2ccc3cccc(F)c3n2)n1.
What is the InChIKey of 3-tert-butyl-5-[[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is DCXYASIQNAAWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-19(2,3)18-23-15(26-24-18)11-25-10-9-21-17(25)14-8-7-12-5-4-6-13(20)16(12)22-14/h4-10H,11H2,1-3H3.
What are the key properties of 3-tert-butyl-5-[[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole?
3-tert-butyl-5-[[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 351.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 146044437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).