[5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanamine

C9H7BrClN3O — CID 62070230

IUPAC[5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(-c2ccc(Br)cc2Cl)o1
InChIInChI=1S/C9H7BrClN3O/c10-5-1-2-6(7(11)3-5)9-14-13-8(4-12)15-9/h1-3H,4,12H2
InChIKeyBVYBTEVOIVCODV-UHFFFAOYSA-N
MW288.53 g/mol
LogP2.61
Rot. Bonds2

About [5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 62070230) has the molecular formula C9H7BrClN3O and a molecular weight of 288.53 g/mol. Its IUPAC name is [5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID62070230
Molecular FormulaC9H7BrClN3O
Molecular Weight288.53 g/mol
Exact Mass286.95
IUPAC Name[5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(-c2ccc(Br)cc2Cl)o1
InChIInChI=1S/C9H7BrClN3O/c10-5-1-2-6(7(11)3-5)9-14-13-8(4-12)15-9/h1-3H,4,12H2
InChIKeyBVYBTEVOIVCODV-UHFFFAOYSA-N
XLogP2.61
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.53
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-chlorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 43805456
2-bromo-5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazole
CID 114771099
[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine
CID 65289102
2-[5-(4-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069536
2-[5-(2,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 114375433
[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106855917
2-[5-(5-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 55043927
[5-(4-bromo-2-chlorophenyl)furan-2-yl]methanamine
CID 43347493
3-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62070768
[5-(2,5-dichloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 96669361
1-[5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 55124542
1-[5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62858787

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 62070230) is [5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(-c2ccc(Br)cc2Cl)o1.
What is the InChIKey of [5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is BVYBTEVOIVCODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3O/c10-5-1-2-6(7(11)3-5)9-14-13-8(4-12)15-9/h1-3H,4,12H2.
What are the key properties of [5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 288.53 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 62070230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).