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

C17H25N3O3 — CID 134018813

IUPAC3-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCN1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C17H25N3O3/c21-17-20(13-15-23-17)11-10-18-6-8-19(9-7-18)12-14-22-16-4-2-1-3-5-16/h1-5H,6-15H2
InChIKeyYKZXBWBIZZTPKO-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.14
Rot. Bonds7

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

3-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 134018813) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID134018813
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name3-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCN1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C17H25N3O3/c21-17-20(13-15-23-17)11-10-18-6-8-19(9-7-18)12-14-22-16-4-2-1-3-5-16/h1-5H,6-15H2
InChIKeyYKZXBWBIZZTPKO-UHFFFAOYSA-N
XLogP1.14
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 134018813) is 3-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one is O=C1OCCN1CCN1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 3-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is YKZXBWBIZZTPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-17-20(13-15-23-17)11-10-18-6-8-19(9-7-18)12-14-22-16-4-2-1-3-5-16/h1-5H,6-15H2.
What are the key properties of 3-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 319.40 g/mol, XLogP of 1.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134018813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).