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

C20H21BrN4O4 — CID 24681269

IUPACN-(2-bromophenyl)-2-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
SMILESCOc1ccc(OCc2noc(CN(C)CC(=O)Nc3ccccc3Br)n2)cc1
InChIInChI=1S/C20H21BrN4O4/c1-25(11-19(26)22-17-6-4-3-5-16(17)21)12-20-23-18(24-29-20)13-28-15-9-7-14(27-2)8-10-15/h3-10H,11-13H2,1-2H3,(H,22,26)
InChIKeyHPVBLQJELPMCJQ-UHFFFAOYSA-N
MW461.32 g/mol
LogP3.49
Rot. Bonds9

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

N-(2-bromophenyl)-2-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide (PubChem CID 24681269) has the molecular formula C20H21BrN4O4 and a molecular weight of 461.32 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
PubChem CID24681269
Molecular FormulaC20H21BrN4O4
Molecular Weight461.32 g/mol
Exact Mass460.07
IUPAC NameN-(2-bromophenyl)-2-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
SMILESCOc1ccc(OCc2noc(CN(C)CC(=O)Nc3ccccc3Br)n2)cc1
InChIInChI=1S/C20H21BrN4O4/c1-25(11-19(26)22-17-6-4-3-5-16(17)21)12-20-23-18(24-29-20)13-28-15-9-7-14(27-2)8-10-15/h3-10H,11-13H2,1-2H3,(H,22,26)
InChIKeyHPVBLQJELPMCJQ-UHFFFAOYSA-N
XLogP3.49
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-bromophenyl)-2-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide with MolForge

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Related Compounds

2-(4-methoxyphenoxy)-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331884
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147
methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9252610
N-(2-bromophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
CID 24681132
2-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide
CID 18135121
N-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9024086
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761356
2-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4883947
N-(2-bromophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide
CID 109031154
2-[[3-[(1S)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 97029945
2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 71847362
N-(2-bromophenyl)-2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 24681253

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide (CID 24681269) is N-(2-bromophenyl)-2-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide is COc1ccc(OCc2noc(CN(C)CC(=O)Nc3ccccc3Br)n2)cc1.
What is the InChIKey of N-(2-bromophenyl)-2-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide?
The InChIKey is HPVBLQJELPMCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O4/c1-25(11-19(26)22-17-6-4-3-5-16(17)21)12-20-23-18(24-29-20)13-28-15-9-7-14(27-2)8-10-15/h3-10H,11-13H2,1-2H3,(H,22,26).
What are the key properties of N-(2-bromophenyl)-2-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide?
N-(2-bromophenyl)-2-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide has a molecular weight of 461.32 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 24681269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).