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

C11H11BrClN3O — CID 114018627

IUPAC2-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nnc(-c2cc(Cl)cc(Br)c2)o1
InChIInChI=1S/C11H11BrClN3O/c1-14-3-2-10-15-16-11(17-10)7-4-8(12)6-9(13)5-7/h4-6,14H,2-3H2,1H3
InChIKeyKZODPEMNFBTGCT-UHFFFAOYSA-N
MW316.59 g/mol
LogP2.91
Rot. Bonds4

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

2-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine (PubChem CID 114018627) has the molecular formula C11H11BrClN3O and a molecular weight of 316.59 g/mol. Its IUPAC name is 2-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
PubChem CID114018627
Molecular FormulaC11H11BrClN3O
Molecular Weight316.59 g/mol
Exact Mass314.98
IUPAC Name2-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nnc(-c2cc(Cl)cc(Br)c2)o1
InChIInChI=1S/C11H11BrClN3O/c1-14-3-2-10-15-16-11(17-10)7-4-8(12)6-9(13)5-7/h4-6,14H,2-3H2,1H3
InChIKeyKZODPEMNFBTGCT-UHFFFAOYSA-N
XLogP2.91
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.59
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62162541
3-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107940869
2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164297
4-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 107940452
2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole
CID 107944228
3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62138343
N-[2-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 55044397
2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55044345
2-[5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 113296187
2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 106689618
2-[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62163424
2-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 114026388

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine (CID 114018627) is 2-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine is CNCCc1nnc(-c2cc(Cl)cc(Br)c2)o1.
What is the InChIKey of 2-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The InChIKey is KZODPEMNFBTGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O/c1-14-3-2-10-15-16-11(17-10)7-4-8(12)6-9(13)5-7/h4-6,14H,2-3H2,1H3.
What are the key properties of 2-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
2-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine has a molecular weight of 316.59 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 114018627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).