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

C23H26FN5O2 — CID 45194387

IUPAC2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide
SMILESCCC(NC(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1)c1ccncc1
InChIInChI=1S/C23H26FN5O2/c1-2-19(17-7-9-25-10-8-17)27-23(30)20-16-31-22(26-20)15-28-11-13-29(14-12-28)21-6-4-3-5-18(21)24/h3-10,16,19H,2,11-15H2,1H3,(H,27,30)
InChIKeyULMKSNRLHYGPIF-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.41
Rot. Bonds7

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

2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 45194387) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID45194387
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide
SMILESCCC(NC(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1)c1ccncc1
InChIInChI=1S/C23H26FN5O2/c1-2-19(17-7-9-25-10-8-17)27-23(30)20-16-31-22(26-20)15-28-11-13-29(14-12-28)21-6-4-3-5-18(21)24/h3-10,16,19H,2,11-15H2,1H3,(H,27,30)
InChIKeyULMKSNRLHYGPIF-UHFFFAOYSA-N
XLogP3.41
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(1-pyridin-4-ylpropyl)-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-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide (CID 45194387) is 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide is CCC(NC(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1)c1ccncc1.
What is the InChIKey of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ULMKSNRLHYGPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-2-19(17-7-9-25-10-8-17)27-23(30)20-16-31-22(26-20)15-28-11-13-29(14-12-28)21-6-4-3-5-18(21)24/h3-10,16,19H,2,11-15H2,1H3,(H,27,30).
What are the key properties of 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide?
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 45194387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).