5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one

C15H20ClN3O2 — CID 15030100

IUPAC5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(CCN2CCN(c3ccc(Cl)cc3)CC2)O1
InChIInChI=1S/C15H20ClN3O2/c16-12-1-3-13(4-2-12)19-9-7-18(8-10-19)6-5-14-11-17-15(20)21-14/h1-4,14H,5-11H2,(H,17,20)
InChIKeyPYSHMYWGLIGFKK-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.96
Rot. Bonds4

About 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one

5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 15030100) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID15030100
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(CCN2CCN(c3ccc(Cl)cc3)CC2)O1
InChIInChI=1S/C15H20ClN3O2/c16-12-1-3-13(4-2-12)19-9-7-18(8-10-19)6-5-14-11-17-15(20)21-14/h1-4,14H,5-11H2,(H,17,20)
InChIKeyPYSHMYWGLIGFKK-UHFFFAOYSA-N
XLogP1.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 15030100) is 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one is O=C1NCC(CCN2CCN(c3ccc(Cl)cc3)CC2)O1.
What is the InChIKey of 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is PYSHMYWGLIGFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-12-1-3-13(4-2-12)19-9-7-18(8-10-19)6-5-14-11-17-15(20)21-14/h1-4,14H,5-11H2,(H,17,20).
What are the key properties of 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 309.80 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 15030100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).