5-chloro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C21H19ClF3N3O6S — CID 144576628

IUPAC5-chloro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CN(c2ccc(N3CCOCC3=O)cc2OCC(F)(F)F)C(=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C21H19ClF3N3O6S/c22-17-4-3-16(35-17)19(30)26-8-13-9-28(20(31)34-13)14-2-1-12(27-5-6-32-10-18(27)29)7-15(14)33-11-21(23,24)25/h1-4,7,13H,5-6,8-11H2,(H,26,30)
InChIKeyMGERXACNYQTPGG-UHFFFAOYSA-N
MW533.91 g/mol
LogP3.46
Rot. Bonds7

About 5-chloro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 144576628) has the molecular formula C21H19ClF3N3O6S and a molecular weight of 533.91 g/mol. Its IUPAC name is 5-chloro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
PubChem CID144576628
Molecular FormulaC21H19ClF3N3O6S
Molecular Weight533.91 g/mol
Exact Mass533.06
IUPAC Name5-chloro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CN(c2ccc(N3CCOCC3=O)cc2OCC(F)(F)F)C(=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C21H19ClF3N3O6S/c22-17-4-3-16(35-17)19(30)26-8-13-9-28(20(31)34-13)14-2-1-12(27-5-6-32-10-18(27)29)7-15(14)33-11-21(23,24)25/h1-4,7,13H,5-6,8-11H2,(H,26,30)
InChIKeyMGERXACNYQTPGG-UHFFFAOYSA-N
XLogP3.46
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.91
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-[[(5S)-3-[2-(2-fluoroethoxy)-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 73332698
5-chloro-N-[[3-(3-chloro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 21070740
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CID 73330489
5-chloro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 123752701
3,5-dichloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 155905787
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CID 10202260
N-[[(3S,3aS)-1-oxo-7-(3-oxomorpholin-4-yl)-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinoxalin-3-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 118713029
5-chloro-N-[[3-[3-chloro-4-(2-methyl-5-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 21070697
5-chloro-N-[[3-[3-fluoro-4-(2-oxo-1,3-oxazinan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 118150777
N-[[(3S,3aS)-1-oxo-8-(3-oxomorpholin-4-yl)-3,3a,4,5-tetrahydro-[1,3]oxazolo[4,3-d][1,5]benzoxazepin-3-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 91826230
5-chloro-N-[[3-(3-fluoro-4-piperazin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 21070746
5-chloro-N-[[(4R,5S)-4-hydroxy-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 94005071

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 144576628) is 5-chloro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is O=C(NCC1CN(c2ccc(N3CCOCC3=O)cc2OCC(F)(F)F)C(=O)O1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is MGERXACNYQTPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N3O6S/c22-17-4-3-16(35-17)19(30)26-8-13-9-28(20(31)34-13)14-2-1-12(27-5-6-32-10-18(27)29)7-15(14)33-11-21(23,24)25/h1-4,7,13H,5-6,8-11H2,(H,26,30).
What are the key properties of 5-chloro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 533.91 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 144576628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).