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

C18H18BrN3O2 — CID 31319686

IUPACN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenoxyethanamine
SMILESCN(CCOc1ccccc1)Cc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C18H18BrN3O2/c1-22(11-12-23-14-7-3-2-4-8-14)13-17-20-21-18(24-17)15-9-5-6-10-16(15)19/h2-10H,11-13H2,1H3
InChIKeyXHPBNDUNMYUDSV-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.01
Rot. Bonds7

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

N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenoxyethanamine (PubChem CID 31319686) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenoxyethanamine.

Molecular Properties

Compound NameN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenoxyethanamine
PubChem CID31319686
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC NameN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenoxyethanamine
SMILESCN(CCOc1ccccc1)Cc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C18H18BrN3O2/c1-22(11-12-23-14-7-3-2-4-8-14)13-17-20-21-18(24-17)15-9-5-6-10-16(15)19/h2-10H,11-13H2,1H3
InChIKeyXHPBNDUNMYUDSV-UHFFFAOYSA-N
XLogP4.01
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(3-methylphenoxy)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 78827666
N-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(3,5-dimethylphenoxy)-N-methylethanamine
CID 24507743
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-(4-methylphenoxy)ethanamine
CID 34722034
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8785340
2-(2-bromophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 7894295
2-(2-bromophenyl)-5-[2-(4-chlorophenoxy)ethylsulfanylmethyl]-1,3,4-oxadiazole
CID 78834064
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyethanamine
CID 134038411
2-[(3-bromophenoxy)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole
CID 7894332
2-(2-bromophenyl)-5-[(3,5-dimethoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 7713933
(1R)-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-N-methylethanamine
CID 94819411
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-butylamino]ethanol
CID 60689002
N-methyl-2-(4-methylphenoxy)-N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 34721938

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenoxyethanamine?
The IUPAC name of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenoxyethanamine (CID 31319686) is N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenoxyethanamine.
What is the SMILES notation for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenoxyethanamine?
The canonical SMILES for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenoxyethanamine is CN(CCOc1ccccc1)Cc1nnc(-c2ccccc2Br)o1.
What is the InChIKey of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenoxyethanamine?
The InChIKey is XHPBNDUNMYUDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c1-22(11-12-23-14-7-3-2-4-8-14)13-17-20-21-18(24-17)15-9-5-6-10-16(15)19/h2-10H,11-13H2,1H3.
What are the key properties of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenoxyethanamine?
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenoxyethanamine has a molecular weight of 388.27 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenoxyethanamine is sourced from PubChem (CID 31319686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).