3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

C14H15BrFN3O — CID 66423611

IUPAC3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1CCCC(c2nc(-c3cc(F)cc(Br)c3)no2)C1
InChIInChI=1S/C14H15BrFN3O/c15-10-4-9(5-11(16)7-10)13-18-14(20-19-13)8-2-1-3-12(17)6-8/h4-5,7-8,12H,1-3,6,17H2
InChIKeyOPDSWXTZZOOJCA-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.62
Rot. Bonds2

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

3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 66423611) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID66423611
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1CCCC(c2nc(-c3cc(F)cc(Br)c3)no2)C1
InChIInChI=1S/C14H15BrFN3O/c15-10-4-9(5-11(16)7-10)13-18-14(20-19-13)8-2-1-3-12(17)6-8/h4-5,7-8,12H,1-3,6,17H2
InChIKeyOPDSWXTZZOOJCA-UHFFFAOYSA-N
XLogP3.62
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 107280013
3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride
CID 119947825
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 81273281
3-(3-bromo-5-fluorophenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915031
2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine
CID 66425697
[4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79526331
3-(3,5-difluorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743347
cis-(1S,3R)-3-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323699
5-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 102689911
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 64981970
cis-(1S,3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323133
3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 63043501

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 66423611) is 3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is NC1CCCC(c2nc(-c3cc(F)cc(Br)c3)no2)C1.
What is the InChIKey of 3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is OPDSWXTZZOOJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c15-10-4-9(5-11(16)7-10)13-18-14(20-19-13)8-2-1-3-12(17)6-8/h4-5,7-8,12H,1-3,6,17H2.
What are the key properties of 3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 340.20 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 66423611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).