3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one

C23H28N4O2S — CID 24608670

IUPAC3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCC(C)Cc1ccc(-c2cnc(CCC(=O)N3CCN(c4nccs4)CC3)o2)cc1
InChIInChI=1S/C23H28N4O2S/c1-17(2)15-18-3-5-19(6-4-18)20-16-25-21(29-20)7-8-22(28)26-10-12-27(13-11-26)23-24-9-14-30-23/h3-6,9,14,16-17H,7-8,10-13,15H2,1-2H3
InChIKeyXCJGKHPVWFOLDD-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.28
Rot. Bonds7

About 3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one

3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 24608670) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
PubChem CID24608670
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCC(C)Cc1ccc(-c2cnc(CCC(=O)N3CCN(c4nccs4)CC3)o2)cc1
InChIInChI=1S/C23H28N4O2S/c1-17(2)15-18-3-5-19(6-4-18)20-16-25-21(29-20)7-8-22(28)26-10-12-27(13-11-26)23-24-9-14-30-23/h3-6,9,14,16-17H,7-8,10-13,15H2,1-2H3
InChIKeyXCJGKHPVWFOLDD-UHFFFAOYSA-N
XLogP4.28
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-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

3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 24627726
3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 24642080
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propan-1-one
CID 34470903
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
CID 112813449
3-(1-methylpyrazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 56816525
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 16594239
3-pyridin-3-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 158724204
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108809162
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 94556875
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 41248921
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108809163

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (CID 24608670) is 3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is CC(C)Cc1ccc(-c2cnc(CCC(=O)N3CCN(c4nccs4)CC3)o2)cc1.
What is the InChIKey of 3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is XCJGKHPVWFOLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-17(2)15-18-3-5-19(6-4-18)20-16-25-21(29-20)7-8-22(28)26-10-12-27(13-11-26)23-24-9-14-30-23/h3-6,9,14,16-17H,7-8,10-13,15H2,1-2H3.
What are the key properties of 3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 424.57 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 24608670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).