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

C23H25FN4O2 — CID 46043247

IUPAC2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(N2CCN(Cc3nc(C(=O)Nc4ccc(F)cc4)co3)CC2)cc1C
InChIInChI=1S/C23H25FN4O2/c1-16-3-8-20(13-17(16)2)28-11-9-27(10-12-28)14-22-26-21(15-30-22)23(29)25-19-6-4-18(24)5-7-19/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,29)
InChIKeyWUVCFOFCBQYYND-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.01
Rot. Bonds5

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

2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 46043247) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
PubChem CID46043247
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(N2CCN(Cc3nc(C(=O)Nc4ccc(F)cc4)co3)CC2)cc1C
InChIInChI=1S/C23H25FN4O2/c1-16-3-8-20(13-17(16)2)28-11-9-27(10-12-28)14-22-26-21(15-30-22)23(29)25-19-6-4-18(24)5-7-19/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,29)
InChIKeyWUVCFOFCBQYYND-UHFFFAOYSA-N
XLogP4.01
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.01
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-(4-fluorophenyl)-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-(4-fluorophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide (CID 46043247) is 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide is Cc1ccc(N2CCN(Cc3nc(C(=O)Nc4ccc(F)cc4)co3)CC2)cc1C.
What is the InChIKey of 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is WUVCFOFCBQYYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-16-3-8-20(13-17(16)2)28-11-9-27(10-12-28)14-22-26-21(15-30-22)23(29)25-19-6-4-18(24)5-7-19/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,29).
What are the key properties of 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide?
2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 4.01, 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-(4-fluorophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46043247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).