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

C21H28N4O4 — CID 36781578

IUPAC2-[4-(4-butoxybenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCCOc1ccc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1
InChIInChI=1S/C21H28N4O4/c1-3-4-13-28-18-7-5-17(6-8-18)21(27)25-11-9-24(10-12-25)15-20(26)22-19-14-16(2)29-23-19/h5-8,14H,3-4,9-13,15H2,1-2H3,(H,22,23,26)
InChIKeyJLRCDSUXDJVKHM-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.56
Rot. Bonds8

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

2-[4-(4-butoxybenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 36781578) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[4-(4-butoxybenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-butoxybenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID36781578
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name2-[4-(4-butoxybenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCCOc1ccc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1
InChIInChI=1S/C21H28N4O4/c1-3-4-13-28-18-7-5-17(6-8-18)21(27)25-11-9-24(10-12-25)15-20(26)22-19-14-16(2)29-23-19/h5-8,14H,3-4,9-13,15H2,1-2H3,(H,22,23,26)
InChIKeyJLRCDSUXDJVKHM-UHFFFAOYSA-N
XLogP2.56
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]acetamide
CID 24572868
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 24608512
2-[4-[4-(difluoromethylsulfanyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24620104
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]piperazin-1-yl]acetamide
CID 24608511
2-[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24572911
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-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 52542227
2-[4-(6-amino-5-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 126767599
2-[4-[3-(3-bromophenoxy)propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 33267493
2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 25485414
1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496513

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-butoxybenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-(4-butoxybenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 36781578) is 2-[4-(4-butoxybenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(4-butoxybenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(4-butoxybenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCCCOc1ccc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1.
What is the InChIKey of 2-[4-(4-butoxybenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is JLRCDSUXDJVKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-3-4-13-28-18-7-5-17(6-8-18)21(27)25-11-9-24(10-12-25)15-20(26)22-19-14-16(2)29-23-19/h5-8,14H,3-4,9-13,15H2,1-2H3,(H,22,23,26).
What are the key properties of 2-[4-(4-butoxybenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-(4-butoxybenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 400.48 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-butoxybenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 36781578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).