1-[1-[[3-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]ethanol

C14H14FN5O2 — CID 136573700

IUPAC1-[1-[[3-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]ethanol
SMILESCc1ccc(-c2noc(Cn3cc(C(C)O)nn3)n2)c(F)c1
InChIInChI=1S/C14H14FN5O2/c1-8-3-4-10(11(15)5-8)14-16-13(22-18-14)7-20-6-12(9(2)21)17-19-20/h3-6,9,21H,7H2,1-2H3
InChIKeyMHWUTXKXGQPTOF-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.88
Rot. Bonds4

About 1-[1-[[3-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]ethanol

1-[1-[[3-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]ethanol (PubChem CID 136573700) has the molecular formula C14H14FN5O2 and a molecular weight of 303.30 g/mol. Its IUPAC name is 1-[1-[[3-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[3-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]ethanol
PubChem CID136573700
Molecular FormulaC14H14FN5O2
Molecular Weight303.30 g/mol
Exact Mass303.11
IUPAC Name1-[1-[[3-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]ethanol
SMILESCc1ccc(-c2noc(Cn3cc(C(C)O)nn3)n2)c(F)c1
InChIInChI=1S/C14H14FN5O2/c1-8-3-4-10(11(15)5-8)14-16-13(22-18-14)7-20-6-12(9(2)21)17-19-20/h3-6,9,21H,7H2,1-2H3
InChIKeyMHWUTXKXGQPTOF-UHFFFAOYSA-N
XLogP1.88
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[[3-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]ethanol (CID 136573700) is 1-[1-[[3-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[[3-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[[3-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]ethanol is Cc1ccc(-c2noc(Cn3cc(C(C)O)nn3)n2)c(F)c1.
What is the InChIKey of 1-[1-[[3-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]ethanol?
The InChIKey is MHWUTXKXGQPTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O2/c1-8-3-4-10(11(15)5-8)14-16-13(22-18-14)7-20-6-12(9(2)21)17-19-20/h3-6,9,21H,7H2,1-2H3.
What are the key properties of 1-[1-[[3-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]ethanol?
1-[1-[[3-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]ethanol has a molecular weight of 303.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-(2-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 136573700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).