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

C18H22N4O3 — CID 4968287

IUPAC2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCC(=O)c1ccc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1
InChIInChI=1S/C18H22N4O3/c1-13-11-17(20-25-13)19-18(24)12-21-7-9-22(10-8-21)16-5-3-15(4-6-16)14(2)23/h3-6,11H,7-10,12H2,1-2H3,(H,19,20,24)
InChIKeyKBJAYENVJJBNJZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.95
Rot. Bonds5

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

2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 4968287) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID4968287
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCC(=O)c1ccc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1
InChIInChI=1S/C18H22N4O3/c1-13-11-17(20-25-13)19-18(24)12-21-7-9-22(10-8-21)16-5-3-15(4-6-16)14(2)23/h3-6,11H,7-10,12H2,1-2H3,(H,19,20,24)
InChIKeyKBJAYENVJJBNJZ-UHFFFAOYSA-N
XLogP1.95
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 4968287) is 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CC(=O)c1ccc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1.
What is the InChIKey of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is KBJAYENVJJBNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-11-17(20-25-13)19-18(24)12-21-7-9-22(10-8-21)16-5-3-15(4-6-16)14(2)23/h3-6,11H,7-10,12H2,1-2H3,(H,19,20,24).
What are the key properties of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 4968287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).