2-[4-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C20H25BrN4O5 — CID 24572927

IUPAC2-[4-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1cc(Br)c(CC(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1OC
InChIInChI=1S/C20H25BrN4O5/c1-13-8-18(23-30-13)22-19(26)12-24-4-6-25(7-5-24)20(27)10-14-9-16(28-2)17(29-3)11-15(14)21/h8-9,11H,4-7,10,12H2,1-3H3,(H,22,23,26)
InChIKeyCRELNQVGUMEWLU-UHFFFAOYSA-N
MW481.35 g/mol
LogP2.09
Rot. Bonds7

About 2-[4-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 24572927) has the molecular formula C20H25BrN4O5 and a molecular weight of 481.35 g/mol. Its IUPAC name is 2-[4-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID24572927
Molecular FormulaC20H25BrN4O5
Molecular Weight481.35 g/mol
Exact Mass480.10
IUPAC Name2-[4-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1cc(Br)c(CC(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1OC
InChIInChI=1S/C20H25BrN4O5/c1-13-8-18(23-30-13)22-19(26)12-24-4-6-25(7-5-24)20(27)10-14-9-16(28-2)17(29-3)11-15(14)21/h8-9,11H,4-7,10,12H2,1-3H3,(H,22,23,26)
InChIKeyCRELNQVGUMEWLU-UHFFFAOYSA-N
XLogP2.09
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36781449
2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 33267493
2-[4-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60575652
2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
2-[4-(2-cyclopent-2-en-1-ylacetyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24572919
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 16596717
2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24572905
2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 16601253
2-[4-(2-acetamidopropanoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24645151
2-[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 146109682
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;dihydrochloride
CID 119838834
4-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-4-oxobutanamide
CID 86278510

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 24572927) is 2-[4-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1cc(Br)c(CC(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1OC.
What is the InChIKey of 2-[4-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is CRELNQVGUMEWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN4O5/c1-13-8-18(23-30-13)22-19(26)12-24-4-6-25(7-5-24)20(27)10-14-9-16(28-2)17(29-3)11-15(14)21/h8-9,11H,4-7,10,12H2,1-3H3,(H,22,23,26).
What are the key properties of 2-[4-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 481.35 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 24572927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).