[2-fluoro-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-methylpyrazol-4-yl)methanol

C14H10F4N4O2 — CID 175183546

IUPAC[2-fluoro-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2cccc(-c3noc(C(F)(F)F)n3)c2F)cn1
InChIInChI=1S/C14H10F4N4O2/c1-22-6-7(5-19-22)11(23)8-3-2-4-9(10(8)15)12-20-13(24-21-12)14(16,17)18/h2-6,11,23H,1H3
InChIKeyVEBJNYSTUFMFAN-UHFFFAOYSA-N
MW342.25 g/mol
LogP2.71
Rot. Bonds3

About [2-fluoro-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-methylpyrazol-4-yl)methanol

[2-fluoro-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-methylpyrazol-4-yl)methanol (PubChem CID 175183546) has the molecular formula C14H10F4N4O2 and a molecular weight of 342.25 g/mol. Its IUPAC name is [2-fluoro-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[2-fluoro-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-methylpyrazol-4-yl)methanol
PubChem CID175183546
Molecular FormulaC14H10F4N4O2
Molecular Weight342.25 g/mol
Exact Mass342.07
IUPAC Name[2-fluoro-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2cccc(-c3noc(C(F)(F)F)n3)c2F)cn1
InChIInChI=1S/C14H10F4N4O2/c1-22-6-7(5-19-22)11(23)8-3-2-4-9(10(8)15)12-20-13(24-21-12)14(16,17)18/h2-6,11,23H,1H3
InChIKeyVEBJNYSTUFMFAN-UHFFFAOYSA-N
XLogP2.71
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088379
[3-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-(1-methylpyrazol-4-yl)methanethiol
CID 175364924
(3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 114981782
(3-methyl-4-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 139328662
2-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2-oxazolidin-3-one
CID 137352844
3-(2-chloro-3-pyridinyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 50853279
2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenecarbothioamide
CID 168862218
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 133323581
1-benzofuran-2-yl-(1-methylpyrazol-4-yl)methanol
CID 63090768
[(1-methylpiperidin-3-yl)amino]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 123961632
3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90464045
(2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 62662141

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of [2-fluoro-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-methylpyrazol-4-yl)methanol (CID 175183546) is [2-fluoro-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for [2-fluoro-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for [2-fluoro-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-methylpyrazol-4-yl)methanol is Cn1cc(C(O)c2cccc(-c3noc(C(F)(F)F)n3)c2F)cn1.
What is the InChIKey of [2-fluoro-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-methylpyrazol-4-yl)methanol?
The InChIKey is VEBJNYSTUFMFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N4O2/c1-22-6-7(5-19-22)11(23)8-3-2-4-9(10(8)15)12-20-13(24-21-12)14(16,17)18/h2-6,11,23H,1H3.
What are the key properties of [2-fluoro-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-methylpyrazol-4-yl)methanol?
[2-fluoro-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-methylpyrazol-4-yl)methanol has a molecular weight of 342.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 175183546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).