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

C19H19FN2O2 — CID 141345284

IUPACfluoro-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESCC(C)Cc1ccc(-c2nc(-c3ccc(C(O)F)cc3)no2)cc1
InChIInChI=1S/C19H19FN2O2/c1-12(2)11-13-3-5-16(6-4-13)19-21-18(22-24-19)15-9-7-14(8-10-15)17(20)23/h3-10,12,17,23H,11H2,1-2H3
InChIKeyMYOWPLRLBRVWSH-UHFFFAOYSA-N
MW326.37 g/mol
LogP4.56
Rot. Bonds5

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

fluoro-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol (PubChem CID 141345284) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is fluoro-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Namefluoro-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol
PubChem CID141345284
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Namefluoro-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESCC(C)Cc1ccc(-c2nc(-c3ccc(C(O)F)cc3)no2)cc1
InChIInChI=1S/C19H19FN2O2/c1-12(2)11-13-3-5-16(6-4-13)19-21-18(22-24-19)15-9-7-14(8-10-15)17(20)23/h3-10,12,17,23H,11H2,1-2H3
InChIKeyMYOWPLRLBRVWSH-UHFFFAOYSA-N
XLogP4.56
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methanol
CID 141194690
[5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol
CID 68649097
1-[1-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]azetidine-3-carboxylic acid
CID 10363916
2-[[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2H-azete-1-carboxylic acid
CID 141345288
5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 2741809
1-methyl-4-[[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 71034738
3-(4-methoxyphenyl)-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,2,4-oxadiazole
CID 143910181
[3-[[4-[3-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methylamino]cyclobutyl] formate
CID 87529920
[3-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]anilino]cyclobutyl] formate
CID 174585216
[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 59204295
[4-carboxyoxy-1-[[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl] hydrogen carbonate
CID 90450339
dioxomanganese;4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde;[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;oxolane
CID 157117394

Frequently Asked Questions

What is the IUPAC name of fluoro-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The IUPAC name of fluoro-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol (CID 141345284) is fluoro-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol.
What is the SMILES notation for fluoro-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The canonical SMILES for fluoro-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol is CC(C)Cc1ccc(-c2nc(-c3ccc(C(O)F)cc3)no2)cc1.
What is the InChIKey of fluoro-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The InChIKey is MYOWPLRLBRVWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-12(2)11-13-3-5-16(6-4-13)19-21-18(22-24-19)15-9-7-14(8-10-15)17(20)23/h3-10,12,17,23H,11H2,1-2H3.
What are the key properties of fluoro-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol?
fluoro-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol has a molecular weight of 326.37 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol is sourced from PubChem (CID 141345284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).