1-[5-[1-(3-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride

C18H25ClFN3O — CID 120869381

IUPAC1-[5-[1-(3-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(C2(c3cccc(F)c3)CCCCC2)n1.Cl
InChIInChI=1S/C18H24FN3O.ClH/c1-13(20-2)11-16-21-17(23-22-16)18(9-4-3-5-10-18)14-7-6-8-15(19)12-14;/h6-8,12-13,20H,3-5,9-11H2,1-2H3;1H
InChIKeyYVQMLYRRCAMGOH-UHFFFAOYSA-N
MW353.87 g/mol
LogP4.03
Rot. Bonds5

About 1-[5-[1-(3-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride

1-[5-[1-(3-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride (PubChem CID 120869381) has the molecular formula C18H25ClFN3O and a molecular weight of 353.87 g/mol. Its IUPAC name is 1-[5-[1-(3-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[1-(3-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
PubChem CID120869381
Molecular FormulaC18H25ClFN3O
Molecular Weight353.87 g/mol
Exact Mass353.17
IUPAC Name1-[5-[1-(3-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(C2(c3cccc(F)c3)CCCCC2)n1.Cl
InChIInChI=1S/C18H24FN3O.ClH/c1-13(20-2)11-16-21-17(23-22-16)18(9-4-3-5-10-18)14-7-6-8-15(19)12-14;/h6-8,12-13,20H,3-5,9-11H2,1-2H3;1H
InChIKeyYVQMLYRRCAMGOH-UHFFFAOYSA-N
XLogP4.03
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-[1-(3-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride with MolForge

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Related Compounds

N-methyl-1-[5-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867345
N-methyl-1-[5-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120868974
3-[[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 71863994
1-[5-[1-(4-chlorophenyl)cyclopentyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120869326
N-methyl-1-[5-[1-(2-methylphenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867807
N-methyl-1-[5-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120868305
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115079254
1-[5-[4-(4-bromophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120867821
3-(2-methylpropyl)-5-[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]-1,2,4-oxadiazole
CID 154748305
1-[5-[1-(4-chlorophenyl)sulfonylcyclopentyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866148
3-[[5-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 71863997
5-[1-(3-fluorophenyl)cyclopentyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97077225

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(3-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[5-[1-(3-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride (CID 120869381) is 1-[5-[1-(3-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[5-[1-(3-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[5-[1-(3-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride is CNC(C)Cc1noc(C2(c3cccc(F)c3)CCCCC2)n1.Cl.
What is the InChIKey of 1-[5-[1-(3-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride?
The InChIKey is YVQMLYRRCAMGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O.ClH/c1-13(20-2)11-16-21-17(23-22-16)18(9-4-3-5-10-18)14-7-6-8-15(19)12-14;/h6-8,12-13,20H,3-5,9-11H2,1-2H3;1H.
What are the key properties of 1-[5-[1-(3-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride?
1-[5-[1-(3-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride has a molecular weight of 353.87 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(3-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 120869381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).