2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine

C11H12BrN3O — CID 62164297

IUPAC2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C11H12BrN3O/c1-13-6-5-10-14-15-11(16-10)8-3-2-4-9(12)7-8/h2-4,7,13H,5-6H2,1H3
InChIKeyNAMTXGVSDCTLJU-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.26
Rot. Bonds4

About 2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine

2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine (PubChem CID 62164297) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
PubChem CID62164297
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C11H12BrN3O/c1-13-6-5-10-14-15-11(16-10)8-3-2-4-9(12)7-8/h2-4,7,13H,5-6H2,1H3
InChIKeyNAMTXGVSDCTLJU-UHFFFAOYSA-N
XLogP2.26
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62138343
2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62162541
2-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 114018627
N-[3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62139301
2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164986
2-[5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 113296187
2-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 114026388
2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62162897
2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55044345
3-[5-(4-bromo-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 113396982
3-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62136727
2-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55043972

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine (CID 62164297) is 2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine is CNCCc1nnc(-c2cccc(Br)c2)o1.
What is the InChIKey of 2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The InChIKey is NAMTXGVSDCTLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-13-6-5-10-14-15-11(16-10)8-3-2-4-9(12)7-8/h2-4,7,13H,5-6H2,1H3.
What are the key properties of 2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine has a molecular weight of 282.14 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 62164297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).