1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine

C15H17BrFN3O — CID 114560830

IUPAC1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2noc(-c3c(F)cccc3Br)n2)C1
InChIInChI=1S/C15H17BrFN3O/c1-9-4-3-7-15(18,8-9)14-19-13(21-20-14)12-10(16)5-2-6-11(12)17/h2,5-6,9H,3-4,7-8,18H2,1H3
InChIKeyRFNGROJBLAWOFS-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.00
Rot. Bonds2

About 1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine

1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine (PubChem CID 114560830) has the molecular formula C15H17BrFN3O and a molecular weight of 354.22 g/mol. Its IUPAC name is 1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
PubChem CID114560830
Molecular FormulaC15H17BrFN3O
Molecular Weight354.22 g/mol
Exact Mass353.05
IUPAC Name1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2noc(-c3c(F)cccc3Br)n2)C1
InChIInChI=1S/C15H17BrFN3O/c1-9-4-3-7-15(18,8-9)14-19-13(21-20-14)12-10(16)5-2-6-11(12)17/h2,5-6,9H,3-4,7-8,18H2,1H3
InChIKeyRFNGROJBLAWOFS-UHFFFAOYSA-N
XLogP4.00
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114560827
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 61352127
1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 107992737
1-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 62960296
1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 104639528
3-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 102922589
4-[3-(1-amino-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 61352527
3-methyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352329
1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 61352732
1-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850184
3-methyl-1-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352531
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methylcyclohexan-1-amine
CID 43559385

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine?
The IUPAC name of 1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine (CID 114560830) is 1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine is CC1CCCC(N)(c2noc(-c3c(F)cccc3Br)n2)C1.
What is the InChIKey of 1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine?
The InChIKey is RFNGROJBLAWOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3O/c1-9-4-3-7-15(18,8-9)14-19-13(21-20-14)12-10(16)5-2-6-11(12)17/h2,5-6,9H,3-4,7-8,18H2,1H3.
What are the key properties of 1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine?
1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine has a molecular weight of 354.22 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 114560830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).