[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium

C19H20BrN4O2+ — CID 9303229

IUPAC[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium
SMILESCc1cc(Br)ccc1NC(=O)C[NH+](C)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H19BrN4O2/c1-13-10-15(20)8-9-16(13)21-17(25)11-24(2)12-18-22-23-19(26-18)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,25)/p+1
InChIKeyKGLHNOWAGBYLFD-UHFFFAOYSA-O
MW416.30 g/mol
LogP2.46
Rot. Bonds6

About [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium

[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium (PubChem CID 9303229) has the molecular formula C19H20BrN4O2+ and a molecular weight of 416.30 g/mol. Its IUPAC name is [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium.

Molecular Properties

Compound Name[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium
PubChem CID9303229
Molecular FormulaC19H20BrN4O2+
Molecular Weight416.30 g/mol
Exact Mass415.08
IUPAC Name[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium
SMILESCc1cc(Br)ccc1NC(=O)C[NH+](C)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H19BrN4O2/c1-13-10-15(20)8-9-16(13)21-17(25)11-24(2)12-18-22-23-19(26-18)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,25)/p+1
InChIKeyKGLHNOWAGBYLFD-UHFFFAOYSA-O
XLogP2.46
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium with MolForge

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 8767090
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9332722
N-(4-bromo-2-methylphenyl)-2-[methyl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]acetamide
CID 55387396
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-methylazanium
CID 9038482
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(2S)-2-hydroxy-2-phenylethyl]-methylazanium
CID 9248120
N-(4-bromo-2-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
CID 31378293
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9303392
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(3-cyanophenyl)methyl]-methylazanium
CID 9303360
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9303422
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium
CID 8552071
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(4-methoxycarbonylphenyl)methyl]-methylazanium
CID 9303377
N-(4-acetamido-3-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46421722

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The IUPAC name of [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium (CID 9303229) is [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium.
What is the SMILES notation for [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The canonical SMILES for [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium is Cc1cc(Br)ccc1NC(=O)C[NH+](C)Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The InChIKey is KGLHNOWAGBYLFD-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19BrN4O2/c1-13-10-15(20)8-9-16(13)21-17(25)11-24(2)12-18-22-23-19(26-18)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,25)/p+1.
What are the key properties of [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium?
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium has a molecular weight of 416.30 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]azanium is sourced from PubChem (CID 9303229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).