2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol

C15H17FN2O2 — CID 81282222

IUPAC2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESCc1cc(F)ccc1-c1noc(C2CCCCC2O)n1
InChIInChI=1S/C15H17FN2O2/c1-9-8-10(16)6-7-11(9)14-17-15(20-18-14)12-4-2-3-5-13(12)19/h6-8,12-13,19H,2-5H2,1H3
InChIKeyNUYGDJHQWZUOEH-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.20
Rot. Bonds2

About 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol

2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (PubChem CID 81282222) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
PubChem CID81282222
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESCc1cc(F)ccc1-c1noc(C2CCCCC2O)n1
InChIInChI=1S/C15H17FN2O2/c1-9-8-10(16)6-7-11(9)14-17-15(20-18-14)12-4-2-3-5-13(12)19/h6-8,12-13,19H,2-5H2,1H3
InChIKeyNUYGDJHQWZUOEH-UHFFFAOYSA-N
XLogP3.20
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The IUPAC name of 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (CID 81282222) is 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is Cc1cc(F)ccc1-c1noc(C2CCCCC2O)n1.
What is the InChIKey of 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The InChIKey is NUYGDJHQWZUOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-9-8-10(16)6-7-11(9)14-17-15(20-18-14)12-4-2-3-5-13(12)19/h6-8,12-13,19H,2-5H2,1H3.
What are the key properties of 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol has a molecular weight of 276.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 81282222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).