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

C15H18FN3O — CID 81273281

IUPAC3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCc1cc(F)ccc1-c1noc(C2CCCC(N)C2)n1
InChIInChI=1S/C15H18FN3O/c1-9-7-11(16)5-6-13(9)14-18-15(20-19-14)10-3-2-4-12(17)8-10/h5-7,10,12H,2-4,8,17H2,1H3
InChIKeyRUSFNBGYODZEGB-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.17
Rot. Bonds2

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

3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 81273281) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID81273281
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCc1cc(F)ccc1-c1noc(C2CCCC(N)C2)n1
InChIInChI=1S/C15H18FN3O/c1-9-7-11(16)5-6-13(9)14-18-15(20-19-14)10-3-2-4-12(17)8-10/h5-7,10,12H,2-4,8,17H2,1H3
InChIKeyRUSFNBGYODZEGB-UHFFFAOYSA-N
XLogP3.17
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 81273281) is 3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is Cc1cc(F)ccc1-c1noc(C2CCCC(N)C2)n1.
What is the InChIKey of 3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is RUSFNBGYODZEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-9-7-11(16)5-6-13(9)14-18-15(20-19-14)10-3-2-4-12(17)8-10/h5-7,10,12H,2-4,8,17H2,1H3.
What are the key properties of 3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 275.33 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 81273281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).