4-[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-2-one

C14H13Cl2N3O3 — CID 71889818

IUPAC4-[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)C2CC(c3ccc(Cl)cc3Cl)=NO2)CCN1
InChIInChI=1S/C14H13Cl2N3O3/c15-8-1-2-9(10(16)5-8)11-6-12(22-18-11)14(21)19-4-3-17-13(20)7-19/h1-2,5,12H,3-4,6-7H2,(H,17,20)
InChIKeyOEXDIJDVVKADRL-UHFFFAOYSA-N
MW342.18 g/mol
LogP1.44
Rot. Bonds2

About 4-[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-2-one

4-[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-2-one (PubChem CID 71889818) has the molecular formula C14H13Cl2N3O3 and a molecular weight of 342.18 g/mol. Its IUPAC name is 4-[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-2-one
PubChem CID71889818
Molecular FormulaC14H13Cl2N3O3
Molecular Weight342.18 g/mol
Exact Mass341.03
IUPAC Name4-[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)C2CC(c3ccc(Cl)cc3Cl)=NO2)CCN1
InChIInChI=1S/C14H13Cl2N3O3/c15-8-1-2-9(10(16)5-8)11-6-12(22-18-11)14(21)19-4-3-17-13(20)7-19/h1-2,5,12H,3-4,6-7H2,(H,17,20)
InChIKeyOEXDIJDVVKADRL-UHFFFAOYSA-N
XLogP1.44
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-2-one?
The IUPAC name of 4-[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-2-one (CID 71889818) is 4-[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-2-one is O=C1CN(C(=O)C2CC(c3ccc(Cl)cc3Cl)=NO2)CCN1.
What is the InChIKey of 4-[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-2-one?
The InChIKey is OEXDIJDVVKADRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O3/c15-8-1-2-9(10(16)5-8)11-6-12(22-18-11)14(21)19-4-3-17-13(20)7-19/h1-2,5,12H,3-4,6-7H2,(H,17,20).
What are the key properties of 4-[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-2-one?
4-[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-2-one has a molecular weight of 342.18 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazin-2-one is sourced from PubChem (CID 71889818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).