2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopentylethanamine

C16H20BrN3O — CID 103084091

IUPAC2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopentylethanamine
SMILESCc1cc(Br)ccc1-c1noc(CC(N)C2CCCC2)n1
InChIInChI=1S/C16H20BrN3O/c1-10-8-12(17)6-7-13(10)16-19-15(21-20-16)9-14(18)11-4-2-3-5-11/h6-8,11,14H,2-5,9,18H2,1H3
InChIKeyRDMVKYUXAWLIQD-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.87
Rot. Bonds4

About 2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopentylethanamine

2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopentylethanamine (PubChem CID 103084091) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopentylethanamine.

Molecular Properties

Compound Name2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopentylethanamine
PubChem CID103084091
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopentylethanamine
SMILESCc1cc(Br)ccc1-c1noc(CC(N)C2CCCC2)n1
InChIInChI=1S/C16H20BrN3O/c1-10-8-12(17)6-7-13(10)16-19-15(21-20-16)9-14(18)11-4-2-3-5-11/h6-8,11,14H,2-5,9,18H2,1H3
InChIKeyRDMVKYUXAWLIQD-UHFFFAOYSA-N
XLogP3.87
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopentylethanone
CID 103084048
2-[[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 103083322
2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanamine
CID 107280288
1-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 103084073
[1-[[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 103083398
1-cyclopropyl-2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 107502112
1-cyclopropyl-2-[3-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63352555
1-cyclopropyl-2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 55200681
N-[[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 103083454
(2S)-2-amino-2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 103083198
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanamine
CID 63352508
3-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 103083488

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopentylethanamine?
The IUPAC name of 2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopentylethanamine (CID 103084091) is 2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopentylethanamine.
What is the SMILES notation for 2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopentylethanamine?
The canonical SMILES for 2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopentylethanamine is Cc1cc(Br)ccc1-c1noc(CC(N)C2CCCC2)n1.
What is the InChIKey of 2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopentylethanamine?
The InChIKey is RDMVKYUXAWLIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-10-8-12(17)6-7-13(10)16-19-15(21-20-16)9-14(18)11-4-2-3-5-11/h6-8,11,14H,2-5,9,18H2,1H3.
What are the key properties of 2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopentylethanamine?
2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopentylethanamine has a molecular weight of 350.26 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopentylethanamine is sourced from PubChem (CID 103084091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).