2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(4-phenoxyphenyl)acetamide

C25H28N4O4 — CID 86879469

IUPAC2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(4-phenoxyphenyl)acetamide
SMILESCc1noc(C)c1CC(=O)N1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C25H28N4O4/c1-18-23(19(2)33-27-18)16-25(31)29-14-12-28(13-15-29)17-24(30)26-20-8-10-22(11-9-20)32-21-6-4-3-5-7-21/h3-11H,12-17H2,1-2H3,(H,26,30)
InChIKeyBURBPCSCOVQRPY-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.41
Rot. Bonds7

About 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(4-phenoxyphenyl)acetamide

2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 86879469) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(4-phenoxyphenyl)acetamide
PubChem CID86879469
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(4-phenoxyphenyl)acetamide
SMILESCc1noc(C)c1CC(=O)N1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C25H28N4O4/c1-18-23(19(2)33-27-18)16-25(31)29-14-12-28(13-15-29)17-24(30)26-20-8-10-22(11-9-20)32-21-6-4-3-5-7-21/h3-11H,12-17H2,1-2H3,(H,26,30)
InChIKeyBURBPCSCOVQRPY-UHFFFAOYSA-N
XLogP3.41
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-phenoxybenzoyl)piperazin-1-yl]ethanone
CID 86877703
2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 9223614
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-phenoxyphenyl)acetamide
CID 78794827
2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[(3-propoxyphenyl)methyl]acetamide
CID 86879374
2-[4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 31738486
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 31150970
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 31114163
2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 86879454
2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 86941119
1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 86877503
2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 31477023

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(4-phenoxyphenyl)acetamide (CID 86879469) is 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(4-phenoxyphenyl)acetamide is Cc1noc(C)c1CC(=O)N1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is BURBPCSCOVQRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-18-23(19(2)33-27-18)16-25(31)29-14-12-28(13-15-29)17-24(30)26-20-8-10-22(11-9-20)32-21-6-4-3-5-7-21/h3-11H,12-17H2,1-2H3,(H,26,30).
What are the key properties of 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(4-phenoxyphenyl)acetamide?
2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 448.52 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 86879469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).