2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C19H23BrN4O4 — CID 33267493

IUPAC2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)CCOc3cccc(Br)c3)CC2)no1
InChIInChI=1S/C19H23BrN4O4/c1-14-11-17(22-28-14)21-18(25)13-23-6-8-24(9-7-23)19(26)5-10-27-16-4-2-3-15(20)12-16/h2-4,11-12H,5-10,13H2,1H3,(H,21,22,25)
InChIKeyBPCTYXMLYPAISC-UHFFFAOYSA-N
MW451.32 g/mol
LogP2.30
Rot. Bonds7

About 2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 33267493) has the molecular formula C19H23BrN4O4 and a molecular weight of 451.32 g/mol. Its IUPAC name is 2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID33267493
Molecular FormulaC19H23BrN4O4
Molecular Weight451.32 g/mol
Exact Mass450.09
IUPAC Name2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)CCOc3cccc(Br)c3)CC2)no1
InChIInChI=1S/C19H23BrN4O4/c1-14-11-17(22-28-14)21-18(25)13-23-6-8-24(9-7-23)19(26)5-10-27-16-4-2-3-15(20)12-16/h2-4,11-12H,5-10,13H2,1H3,(H,21,22,25)
InChIKeyBPCTYXMLYPAISC-UHFFFAOYSA-N
XLogP2.30
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 39761846
2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-N-ethylacetamide
CID 86923266
2-[4-[4-(3-bromophenoxy)butanoyl]piperazin-1-yl]-N-propylacetamide
CID 134014552
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36781449
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]acetamide
CID 24572868
2-[4-(4-butoxybenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36781578
3-(3-bromophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 60629350
3-(3-bromophenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 26865839
4-(3-bromophenoxy)-1-(4-ethylpiperazin-1-yl)butan-1-one
CID 112760030
2-[4-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 33300685
2-[4-[3-(4-tert-butylphenyl)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24572905
2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 33267493) is 2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN2CCN(C(=O)CCOc3cccc(Br)c3)CC2)no1.
What is the InChIKey of 2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is BPCTYXMLYPAISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O4/c1-14-11-17(22-28-14)21-18(25)13-23-6-8-24(9-7-23)19(26)5-10-27-16-4-2-3-15(20)12-16/h2-4,11-12H,5-10,13H2,1H3,(H,21,22,25).
What are the key properties of 2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 451.32 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 33267493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).