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

C16H20FN3O — CID 120838725

IUPAC2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylcyclohexan-1-amine
SMILESCc1cc(-c2noc(C3CCCCC3(C)N)n2)ccc1F
InChIInChI=1S/C16H20FN3O/c1-10-9-11(6-7-13(10)17)14-19-15(21-20-14)12-5-3-4-8-16(12,2)18/h6-7,9,12H,3-5,8,18H2,1-2H3
InChIKeyHZZMZESVJJCQON-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.56
Rot. Bonds2

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

2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylcyclohexan-1-amine (PubChem CID 120838725) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylcyclohexan-1-amine
PubChem CID120838725
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylcyclohexan-1-amine
SMILESCc1cc(-c2noc(C3CCCCC3(C)N)n2)ccc1F
InChIInChI=1S/C16H20FN3O/c1-10-9-11(6-7-13(10)17)14-19-15(21-20-14)12-5-3-4-8-16(12,2)18/h6-7,9,12H,3-5,8,18H2,1-2H3
InChIKeyHZZMZESVJJCQON-UHFFFAOYSA-N
XLogP3.56
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 61291619
1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 61289707
3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93350964
3-(4-fluoro-3-methylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 54933319
4-[5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazol-3-yl]aniline
CID 107180522
3-(4-fluoro-3-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93350958
3-(4-fluoro-3-methylphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838743
[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 115436512
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474069
3-(4-fluoro-3-methylphenyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63719853
5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole
CID 120838749
5-[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120838748

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylcyclohexan-1-amine?
The IUPAC name of 2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylcyclohexan-1-amine (CID 120838725) is 2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylcyclohexan-1-amine?
The canonical SMILES for 2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylcyclohexan-1-amine is Cc1cc(-c2noc(C3CCCCC3(C)N)n2)ccc1F.
What is the InChIKey of 2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylcyclohexan-1-amine?
The InChIKey is HZZMZESVJJCQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-10-9-11(6-7-13(10)17)14-19-15(21-20-14)12-5-3-4-8-16(12,2)18/h6-7,9,12H,3-5,8,18H2,1-2H3.
What are the key properties of 2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylcyclohexan-1-amine?
2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylcyclohexan-1-amine has a molecular weight of 289.35 g/mol, XLogP of 3.56, 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-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylcyclohexan-1-amine is sourced from PubChem (CID 120838725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).