3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one

C25H24F3N5O5 — CID 54531284

IUPAC3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCc1nc(-c2ccc(N3CC(CN4CCN(C(=O)c5ccc(OC(F)(F)F)cc5)CC4)OC3=O)cc2)no1
InChIInChI=1S/C25H24F3N5O5/c1-16-29-22(30-38-16)17-2-6-19(7-3-17)33-15-21(36-24(33)35)14-31-10-12-32(13-11-31)23(34)18-4-8-20(9-5-18)37-25(26,27)28/h2-9,21H,10-15H2,1H3
InChIKeyYWSSTGNDWQFFIO-UHFFFAOYSA-N
MW531.49 g/mol
LogP3.73
Rot. Bonds6

About 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one

3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 54531284) has the molecular formula C25H24F3N5O5 and a molecular weight of 531.49 g/mol. Its IUPAC name is 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID54531284
Molecular FormulaC25H24F3N5O5
Molecular Weight531.49 g/mol
Exact Mass531.17
IUPAC Name3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCc1nc(-c2ccc(N3CC(CN4CCN(C(=O)c5ccc(OC(F)(F)F)cc5)CC4)OC3=O)cc2)no1
InChIInChI=1S/C25H24F3N5O5/c1-16-29-22(30-38-16)17-2-6-19(7-3-17)33-15-21(36-24(33)35)14-31-10-12-32(13-11-31)23(34)18-4-8-20(9-5-18)37-25(26,27)28/h2-9,21H,10-15H2,1H3
InChIKeyYWSSTGNDWQFFIO-UHFFFAOYSA-N
XLogP3.73
TPSA101.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.49
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-(3-nitrobenzoyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 54318818
5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 57250790
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
CID 54156009
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 24611521
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzenesulfonyl chloride
CID 158204711
N-(4-fluoro-3-nitrophenyl)-4-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxamide
CID 10301822
dibenzyl 2-[4-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanedioate
CID 70050476
4-bromo-2-ethylbenzenesulfonyl chloride;5-[[4-(4-bromo-2-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 159182329
[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] hydrogen carbonate
CID 70098731
3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-(piperazin-1-ylmethyl)-1,3-oxazolidin-2-one
CID 57296286
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53015117
[4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53041886

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one (CID 54531284) is 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one is Cc1nc(-c2ccc(N3CC(CN4CCN(C(=O)c5ccc(OC(F)(F)F)cc5)CC4)OC3=O)cc2)no1.
What is the InChIKey of 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is YWSSTGNDWQFFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O5/c1-16-29-22(30-38-16)17-2-6-19(7-3-17)33-15-21(36-24(33)35)14-31-10-12-32(13-11-31)23(34)18-4-8-20(9-5-18)37-25(26,27)28/h2-9,21H,10-15H2,1H3.
What are the key properties of 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one?
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 531.49 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 54531284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).