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

C15H18FN3O — CID 61289707

IUPAC1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCc1cc(-c2noc(C3(N)CCCCC3)n2)ccc1F
InChIInChI=1S/C15H18FN3O/c1-10-9-11(5-6-12(10)16)13-18-14(20-19-13)15(17)7-3-2-4-8-15/h5-6,9H,2-4,7-8,17H2,1H3
InChIKeyBTRUMSXZCZUYJM-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.30
Rot. Bonds2

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

1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 61289707) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID61289707
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCc1cc(-c2noc(C3(N)CCCCC3)n2)ccc1F
InChIInChI=1S/C15H18FN3O/c1-10-9-11(5-6-12(10)16)13-18-14(20-19-13)15(17)7-3-2-4-8-15/h5-6,9H,2-4,7-8,17H2,1H3
InChIKeyBTRUMSXZCZUYJM-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 61289707) is 1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is Cc1cc(-c2noc(C3(N)CCCCC3)n2)ccc1F.
What is the InChIKey of 1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is BTRUMSXZCZUYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-10-9-11(5-6-12(10)16)13-18-14(20-19-13)15(17)7-3-2-4-8-15/h5-6,9H,2-4,7-8,17H2,1H3.
What are the key properties of 1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 275.33 g/mol, XLogP of 3.30, 2 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]cyclohexan-1-amine is sourced from PubChem (CID 61289707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).