2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-(4-fluorophenyl)ethanamine

C16H20FN3O — CID 120837814

IUPAC2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-(4-fluorophenyl)ethanamine
SMILESNCC(c1ccc(F)cc1)c1nc(C2CCCCC2)no1
InChIInChI=1S/C16H20FN3O/c17-13-8-6-11(7-9-13)14(10-18)16-19-15(20-21-16)12-4-2-1-3-5-12/h6-9,12,14H,1-5,10,18H2
InChIKeySQSYJTSMYDFNSG-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.35
Rot. Bonds4

About 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-(4-fluorophenyl)ethanamine

2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-(4-fluorophenyl)ethanamine (PubChem CID 120837814) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-(4-fluorophenyl)ethanamine
PubChem CID120837814
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-(4-fluorophenyl)ethanamine
SMILESNCC(c1ccc(F)cc1)c1nc(C2CCCCC2)no1
InChIInChI=1S/C16H20FN3O/c17-13-8-6-11(7-9-13)14(10-18)16-19-15(20-21-16)12-4-2-1-3-5-12/h6-9,12,14H,1-5,10,18H2
InChIKeySQSYJTSMYDFNSG-UHFFFAOYSA-N
XLogP3.35
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 65332273
2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 120841496
2-phenyl-2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 80620615
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride
CID 119948094
(2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915877
(2R)-2-amino-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethanol
CID 92689985
(2S)-2-amino-2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915781
2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 65222397
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine
CID 65389317
(1S)-3-amino-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836745
5-[1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 60501468
(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-(4-fluorophenyl)ethanamine (CID 120837814) is 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-(4-fluorophenyl)ethanamine is NCC(c1ccc(F)cc1)c1nc(C2CCCCC2)no1.
What is the InChIKey of 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-(4-fluorophenyl)ethanamine?
The InChIKey is SQSYJTSMYDFNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c17-13-8-6-11(7-9-13)14(10-18)16-19-15(20-21-16)12-4-2-1-3-5-12/h6-9,12,14H,1-5,10,18H2.
What are the key properties of 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-(4-fluorophenyl)ethanamine?
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-(4-fluorophenyl)ethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 120837814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).