1-[5-[1-(2-bromophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

C14H18BrN3O2 — CID 120868882

IUPAC1-[5-[1-(2-bromophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(C(C)Oc2ccccc2Br)n1
InChIInChI=1S/C14H18BrN3O2/c1-9(16-3)8-13-17-14(20-18-13)10(2)19-12-7-5-4-6-11(12)15/h4-7,9-10,16H,8H2,1-3H3
InChIKeyJNOVEMGZSZIDGB-UHFFFAOYSA-N
MW340.22 g/mol
LogP3.12
Rot. Bonds6

About 1-[5-[1-(2-bromophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

1-[5-[1-(2-bromophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 120868882) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-[5-[1-(2-bromophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-[1-(2-bromophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID120868882
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name1-[5-[1-(2-bromophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(C(C)Oc2ccccc2Br)n1
InChIInChI=1S/C14H18BrN3O2/c1-9(16-3)8-13-17-14(20-18-13)10(2)19-12-7-5-4-6-11(12)15/h4-7,9-10,16H,8H2,1-3H3
InChIKeyJNOVEMGZSZIDGB-UHFFFAOYSA-N
XLogP3.12
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[1-(2-bromo-4-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866254
1-[5-[1-(2,3-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868131
1-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865529
1-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115078997
N-methyl-1-[5-(2-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867072
1-[5-[1-(5-bromothiophen-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865332
N-methyl-1-[5-[methylsulfanyl(phenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120869477
1-[5-[[ethyl(methyl)amino]-phenylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867041
N-methyl-1-[5-(1-phenylsulfanylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120868307
N-methyl-1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867772
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride
CID 120866958
1-[5-[(3-chloro-4-fluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120868278

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(2-bromophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-[1-(2-bromophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 120868882) is 1-[5-[1-(2-bromophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-[1-(2-bromophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-[1-(2-bromophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CNC(C)Cc1noc(C(C)Oc2ccccc2Br)n1.
What is the InChIKey of 1-[5-[1-(2-bromophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is JNOVEMGZSZIDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-9(16-3)8-13-17-14(20-18-13)10(2)19-12-7-5-4-6-11(12)15/h4-7,9-10,16H,8H2,1-3H3.
What are the key properties of 1-[5-[1-(2-bromophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-[1-(2-bromophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 340.22 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(2-bromophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 120868882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).