3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one

C15H24ClN3O3 — CID 56781881

IUPAC3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one
SMILESCc1noc(Cl)c1CCC(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C15H24ClN3O3/c1-11-12(14(16)22-17-11)4-5-13(20)19-8-6-18(7-9-19)10-15(2,3)21/h21H,4-10H2,1-3H3
InChIKeyYCEOOGCZSOFEFB-UHFFFAOYSA-N
MW329.83 g/mol
LogP1.48
Rot. Bonds5

About 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one (PubChem CID 56781881) has the molecular formula C15H24ClN3O3 and a molecular weight of 329.83 g/mol. Its IUPAC name is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one
PubChem CID56781881
Molecular FormulaC15H24ClN3O3
Molecular Weight329.83 g/mol
Exact Mass329.15
IUPAC Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one
SMILESCc1noc(Cl)c1CCC(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C15H24ClN3O3/c1-11-12(14(16)22-17-11)4-5-13(20)19-8-6-18(7-9-19)10-15(2,3)21/h21H,4-10H2,1-3H3
InChIKeyYCEOOGCZSOFEFB-UHFFFAOYSA-N
XLogP1.48
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(2-hydroxy-2-methylpropyl)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

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one (CID 56781881) is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one is Cc1noc(Cl)c1CCC(=O)N1CCN(CC(C)(C)O)CC1.
What is the InChIKey of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one?
The InChIKey is YCEOOGCZSOFEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O3/c1-11-12(14(16)22-17-11)4-5-13(20)19-8-6-18(7-9-19)10-15(2,3)21/h21H,4-10H2,1-3H3.
What are the key properties of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one?
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one has a molecular weight of 329.83 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 56781881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).