4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one

C24H26FN3O3 — CID 25382288

IUPAC4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
SMILESCCOc1ccc(-c2nc(CN3CCN(Cc4ccc(F)cc4)C(=O)C3)c(C)o2)cc1
InChIInChI=1S/C24H26FN3O3/c1-3-30-21-10-6-19(7-11-21)24-26-22(17(2)31-24)15-27-12-13-28(23(29)16-27)14-18-4-8-20(25)9-5-18/h4-11H,3,12-16H2,1-2H3
InChIKeyQTFJJUTVMSQOFO-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.03
Rot. Bonds7

About 4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one

4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one (PubChem CID 25382288) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
PubChem CID25382288
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
SMILESCCOc1ccc(-c2nc(CN3CCN(Cc4ccc(F)cc4)C(=O)C3)c(C)o2)cc1
InChIInChI=1S/C24H26FN3O3/c1-3-30-21-10-6-19(7-11-21)24-26-22(17(2)31-24)15-27-12-13-28(23(29)16-27)14-18-4-8-20(25)9-5-18/h4-11H,3,12-16H2,1-2H3
InChIKeyQTFJJUTVMSQOFO-UHFFFAOYSA-N
XLogP4.03
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[(4-fluorophenyl)methyl]-4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 25459491
1-[(3-methoxyphenyl)methyl]-4-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 25375095
(4-ethoxyphenyl)-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 50762222
4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 166827609
1-[(3-methylphenyl)methyl]-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one
CID 25458230
1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-4-carboxamide
CID 42095450
1-cyclohexyl-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 42455514
N-(4-ethoxyphenyl)-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 20955460
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)-5-methyl-1,3-oxazole
CID 42094310
2-(4-ethylphenyl)-5-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 163516668
2-(4-fluorophenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42210352
(3S)-1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-3-carboxamide
CID 42514309

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one (CID 25382288) is 4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one is CCOc1ccc(-c2nc(CN3CCN(Cc4ccc(F)cc4)C(=O)C3)c(C)o2)cc1.
What is the InChIKey of 4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one?
The InChIKey is QTFJJUTVMSQOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-3-30-21-10-6-19(7-11-21)24-26-22(17(2)31-24)15-27-12-13-28(23(29)16-27)14-18-4-8-20(25)9-5-18/h4-11H,3,12-16H2,1-2H3.
What are the key properties of 4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one?
4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one has a molecular weight of 423.49 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one is sourced from PubChem (CID 25382288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).