5-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one

C17H21ClF3N3O2 — CID 15030080

IUPAC5-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1CC(CCN2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)OC1=O
InChIInChI=1S/C17H21ClF3N3O2/c1-22-11-13(26-16(22)25)4-5-23-6-8-24(9-7-23)12-2-3-15(18)14(10-12)17(19,20)21/h2-3,10,13H,4-9,11H2,1H3
InChIKeyCWPAENXWMMKAPS-UHFFFAOYSA-N
MW391.82 g/mol
LogP3.32
Rot. Bonds4

About 5-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one

5-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one (PubChem CID 15030080) has the molecular formula C17H21ClF3N3O2 and a molecular weight of 391.82 g/mol. Its IUPAC name is 5-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one
PubChem CID15030080
Molecular FormulaC17H21ClF3N3O2
Molecular Weight391.82 g/mol
Exact Mass391.13
IUPAC Name5-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1CC(CCN2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)OC1=O
InChIInChI=1S/C17H21ClF3N3O2/c1-22-11-13(26-16(22)25)4-5-23-6-8-24(9-7-23)12-2-3-15(18)14(10-12)17(19,20)21/h2-3,10,13H,4-9,11H2,1H3
InChIKeyCWPAENXWMMKAPS-UHFFFAOYSA-N
XLogP3.32
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.82
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one (CID 15030080) is 5-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one is CN1CC(CCN2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)OC1=O.
What is the InChIKey of 5-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is CWPAENXWMMKAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClF3N3O2/c1-22-11-13(26-16(22)25)4-5-23-6-8-24(9-7-23)12-2-3-15(18)14(10-12)17(19,20)21/h2-3,10,13H,4-9,11H2,1H3.
What are the key properties of 5-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one?
5-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 391.82 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15030080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).