2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-oxazole-4-carboxamide

C19H26N4O2 — CID 46043249

IUPAC2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
SMILESCCNC(=O)c1coc(CN2CCN(c3ccc(C)c(C)c3)CC2)n1
InChIInChI=1S/C19H26N4O2/c1-4-20-19(24)17-13-25-18(21-17)12-22-7-9-23(10-8-22)16-6-5-14(2)15(3)11-16/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,20,24)
InChIKeyNFGXDLRRJSGPEL-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.36
Rot. Bonds5

About 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-oxazole-4-carboxamide

2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-oxazole-4-carboxamide (PubChem CID 46043249) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
PubChem CID46043249
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
SMILESCCNC(=O)c1coc(CN2CCN(c3ccc(C)c(C)c3)CC2)n1
InChIInChI=1S/C19H26N4O2/c1-4-20-19(24)17-13-25-18(21-17)12-22-7-9-23(10-8-22)16-6-5-14(2)15(3)11-16/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,20,24)
InChIKeyNFGXDLRRJSGPEL-UHFFFAOYSA-N
XLogP2.36
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-oxazole-4-carboxamide (CID 46043249) is 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-oxazole-4-carboxamide is CCNC(=O)c1coc(CN2CCN(c3ccc(C)c(C)c3)CC2)n1.
What is the InChIKey of 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-oxazole-4-carboxamide?
The InChIKey is NFGXDLRRJSGPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-20-19(24)17-13-25-18(21-17)12-22-7-9-23(10-8-22)16-6-5-14(2)15(3)11-16/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,20,24).
What are the key properties of 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-oxazole-4-carboxamide?
2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-oxazole-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46043249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).