2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide

C19H24N4O4 — CID 60512408

IUPAC2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
SMILESCc1cc(C(=O)N2CCN(CC(=O)NCCOc3ccccc3)CC2)on1
InChIInChI=1S/C19H24N4O4/c1-15-13-17(27-21-15)19(25)23-10-8-22(9-11-23)14-18(24)20-7-12-26-16-5-3-2-4-6-16/h2-6,13H,7-12,14H2,1H3,(H,20,24)
InChIKeyDTVZZAHLPJUQTD-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.94
Rot. Bonds7

About 2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide

2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide (PubChem CID 60512408) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
PubChem CID60512408
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
SMILESCc1cc(C(=O)N2CCN(CC(=O)NCCOc3ccccc3)CC2)on1
InChIInChI=1S/C19H24N4O4/c1-15-13-17(27-21-15)19(25)23-10-8-22(9-11-23)14-18(24)20-7-12-26-16-5-3-2-4-6-16/h2-6,13H,7-12,14H2,1H3,(H,20,24)
InChIKeyDTVZZAHLPJUQTD-UHFFFAOYSA-N
XLogP0.94
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.94
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-(furan-3-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 34833982
N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
CID 78882336
N-(2-ethylphenyl)-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
CID 27852116
2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 78900724
2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 60537932
N-(2-methoxy-5-methylphenyl)-2-[[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]amino]acetamide
CID 55838607
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 34907773
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 38125172
methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate
CID 78904854
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]acetamide
CID 24572868
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18196239
N-(3-methoxypropyl)-2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperazin-1-yl]acetamide
CID 55550560

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide (CID 60512408) is 2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide is Cc1cc(C(=O)N2CCN(CC(=O)NCCOc3ccccc3)CC2)on1.
What is the InChIKey of 2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide?
The InChIKey is DTVZZAHLPJUQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-15-13-17(27-21-15)19(25)23-10-8-22(9-11-23)14-18(24)20-7-12-26-16-5-3-2-4-6-16/h2-6,13H,7-12,14H2,1H3,(H,20,24).
What are the key properties of 2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide?
2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide has a molecular weight of 372.43 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 60512408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).