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

C14H12ClN3O3 — CID 37338263

IUPAC4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CCN1
InChIInChI=1S/C14H12ClN3O3/c15-10-3-1-2-9(6-10)12-7-11(17-21-12)14(20)18-5-4-16-13(19)8-18/h1-3,6-7H,4-5,8H2,(H,16,19)
InChIKeyNZTCPIFLLAIVGB-UHFFFAOYSA-N
MW305.72 g/mol
LogP1.57
Rot. Bonds2

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

4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-2-one (PubChem CID 37338263) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-2-one
PubChem CID37338263
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CCN1
InChIInChI=1S/C14H12ClN3O3/c15-10-3-1-2-9(6-10)12-7-11(17-21-12)14(20)18-5-4-16-13(19)8-18/h1-3,6-7H,4-5,8H2,(H,16,19)
InChIKeyNZTCPIFLLAIVGB-UHFFFAOYSA-N
XLogP1.57
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-2-one?
The IUPAC name of 4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-2-one (CID 37338263) is 4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-2-one is O=C1CN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CCN1.
What is the InChIKey of 4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-2-one?
The InChIKey is NZTCPIFLLAIVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c15-10-3-1-2-9(6-10)12-7-11(17-21-12)14(20)18-5-4-16-13(19)8-18/h1-3,6-7H,4-5,8H2,(H,16,19).
What are the key properties of 4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-2-one?
4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-2-one has a molecular weight of 305.72 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 37338263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).