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

C19H19BrN4O2 — CID 8785340

IUPAC2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2nnc(-c3ccccc3Br)o2)cc1
InChIInChI=1S/C19H19BrN4O2/c1-13-7-9-14(10-8-13)21-17(25)11-24(2)12-18-22-23-19(26-18)15-5-3-4-6-16(15)20/h3-10H,11-12H2,1-2H3,(H,21,25)
InChIKeyJRHSOQJDHVEKLE-UHFFFAOYSA-N
MW415.29 g/mol
LogP3.88
Rot. Bonds6

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

2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 8785340) has the molecular formula C19H19BrN4O2 and a molecular weight of 415.29 g/mol. Its IUPAC name is 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID8785340
Molecular FormulaC19H19BrN4O2
Molecular Weight415.29 g/mol
Exact Mass414.07
IUPAC Name2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2nnc(-c3ccccc3Br)o2)cc1
InChIInChI=1S/C19H19BrN4O2/c1-13-7-9-14(10-8-13)21-17(25)11-24(2)12-18-22-23-19(26-18)15-5-3-4-6-16(15)20/h3-10H,11-12H2,1-2H3,(H,21,25)
InChIKeyJRHSOQJDHVEKLE-UHFFFAOYSA-N
XLogP3.88
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
CID 24681132
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 55410713
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenoxyethanamine
CID 31319686
N-(2-chlorophenyl)-2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
CID 9254768
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18104453
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9102879
methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
CID 60670430
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 120750434
N-(4-bromo-2-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
CID 31378293
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propylphenyl)acetamide
CID 24571112
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(4-cyanophenyl)acetamide
CID 112800914
N-(3,5-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371354

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide (CID 8785340) is 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)Cc2nnc(-c3ccccc3Br)o2)cc1.
What is the InChIKey of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is JRHSOQJDHVEKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O2/c1-13-7-9-14(10-8-13)21-17(25)11-24(2)12-18-22-23-19(26-18)15-5-3-4-6-16(15)20/h3-10H,11-12H2,1-2H3,(H,21,25).
What are the key properties of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide?
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 415.29 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 8785340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).