[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine

C16H20FN3O — CID 115436512

IUPAC[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCc1cc(-c2noc(C3(CN)CCCCC3)n2)ccc1F
InChIInChI=1S/C16H20FN3O/c1-11-9-12(5-6-13(11)17)14-19-15(21-20-14)16(10-18)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10,18H2,1H3
InChIKeyQYOLNAXKXYEDFZ-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.34
Rot. Bonds3

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

[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (PubChem CID 115436512) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is [1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
PubChem CID115436512
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCc1cc(-c2noc(C3(CN)CCCCC3)n2)ccc1F
InChIInChI=1S/C16H20FN3O/c1-11-9-12(5-6-13(11)17)14-19-15(21-20-14)16(10-18)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10,18H2,1H3
InChIKeyQYOLNAXKXYEDFZ-UHFFFAOYSA-N
XLogP3.34
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.34
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
[1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 107501925
[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 115436480
[1-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81161823
1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 61289520
[1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
CID 115444583
2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine;hydrochloride
CID 119948247
2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylcyclohexan-1-amine
CID 120838725
5-(4-ethylpiperidin-4-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 63125992
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
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82616661

Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The IUPAC name of [1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (CID 115436512) is [1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The canonical SMILES for [1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is Cc1cc(-c2noc(C3(CN)CCCCC3)n2)ccc1F.
What is the InChIKey of [1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The InChIKey is QYOLNAXKXYEDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-11-9-12(5-6-13(11)17)14-19-15(21-20-14)16(10-18)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10,18H2,1H3.
What are the key properties of [1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine has a molecular weight of 289.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is sourced from PubChem (CID 115436512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).