3-[2-[4-[3-[8-(trifluoromethyl)-2,3-dihydrophenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one

C25H31F3N4O2S — CID 153369930

IUPAC3-[2-[4-[3-[8-(trifluoromethyl)-2,3-dihydrophenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCN1CCN(CCCN2C3=CCCC=C3Sc3ccc(C(F)(F)F)cc32)CC1
InChIInChI=1S/C25H31F3N4O2S/c26-25(27,28)19-6-7-23-21(18-19)32(20-4-1-2-5-22(20)35-23)9-3-8-29-10-12-30(13-11-29)14-15-31-16-17-34-24(31)33/h4-7,18H,1-3,8-17H2
InChIKeyYKPUUJSRILBLLX-UHFFFAOYSA-N
MW508.61 g/mol
LogP4.64
Rot. Bonds7

About 3-[2-[4-[3-[8-(trifluoromethyl)-2,3-dihydrophenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-[4-[3-[8-(trifluoromethyl)-2,3-dihydrophenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 153369930) has the molecular formula C25H31F3N4O2S and a molecular weight of 508.61 g/mol. Its IUPAC name is 3-[2-[4-[3-[8-(trifluoromethyl)-2,3-dihydrophenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-[3-[8-(trifluoromethyl)-2,3-dihydrophenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID153369930
Molecular FormulaC25H31F3N4O2S
Molecular Weight508.61 g/mol
Exact Mass508.21
IUPAC Name3-[2-[4-[3-[8-(trifluoromethyl)-2,3-dihydrophenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCN1CCN(CCCN2C3=CCCC=C3Sc3ccc(C(F)(F)F)cc32)CC1
InChIInChI=1S/C25H31F3N4O2S/c26-25(27,28)19-6-7-23-21(18-19)32(20-4-1-2-5-22(20)35-23)9-3-8-29-10-12-30(13-11-29)14-15-31-16-17-34-24(31)33/h4-7,18H,1-3,8-17H2
InChIKeyYKPUUJSRILBLLX-UHFFFAOYSA-N
XLogP4.64
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.61
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[3-[8-(trifluoromethyl)-2,3-dihydrophenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-[3-[8-(trifluoromethyl)-2,3-dihydrophenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 153369930) is 3-[2-[4-[3-[8-(trifluoromethyl)-2,3-dihydrophenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-[3-[8-(trifluoromethyl)-2,3-dihydrophenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-[3-[8-(trifluoromethyl)-2,3-dihydrophenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one is O=C1OCCN1CCN1CCN(CCCN2C3=CCCC=C3Sc3ccc(C(F)(F)F)cc32)CC1.
What is the InChIKey of 3-[2-[4-[3-[8-(trifluoromethyl)-2,3-dihydrophenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is YKPUUJSRILBLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N4O2S/c26-25(27,28)19-6-7-23-21(18-19)32(20-4-1-2-5-22(20)35-23)9-3-8-29-10-12-30(13-11-29)14-15-31-16-17-34-24(31)33/h4-7,18H,1-3,8-17H2.
What are the key properties of 3-[2-[4-[3-[8-(trifluoromethyl)-2,3-dihydrophenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-[4-[3-[8-(trifluoromethyl)-2,3-dihydrophenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 508.61 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[3-[8-(trifluoromethyl)-2,3-dihydrophenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 153369930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).