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

C20H19ClF3N3O6S — CID 123752701

IUPAC5-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
SMILESO=C(NCC1CN(C2=C(OC(F)(F)F)C=C(N3CCOCC3=O)CC2)C(=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C20H19ClF3N3O6S/c21-16-4-3-15(34-16)18(29)25-8-12-9-27(19(30)32-12)13-2-1-11(7-14(13)33-20(22,23)24)26-5-6-31-10-17(26)28/h3-4,7,12H,1-2,5-6,8-10H2,(H,25,29)
InChIKeyHBOZKZPYMGTOLX-UHFFFAOYSA-N
MW521.90 g/mol
LogP3.24
Rot. Bonds6

About 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

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 (PubChem CID 123752701) has the molecular formula C20H19ClF3N3O6S and a molecular weight of 521.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID123752701
Molecular FormulaC20H19ClF3N3O6S
Molecular Weight521.90 g/mol
Exact Mass521.06
IUPAC Name5-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
SMILESO=C(NCC1CN(C2=C(OC(F)(F)F)C=C(N3CCOCC3=O)CC2)C(=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C20H19ClF3N3O6S/c21-16-4-3-15(34-16)18(29)25-8-12-9-27(19(30)32-12)13-2-1-11(7-14(13)33-20(22,23)24)26-5-6-31-10-17(26)28/h3-4,7,12H,1-2,5-6,8-10H2,(H,25,29)
InChIKeyHBOZKZPYMGTOLX-UHFFFAOYSA-N
XLogP3.24
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.90
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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-[[(5S)-3-[2-fluoro-5-methoxy-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 73330489
5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10202260
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 10158209
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
5-chloro-N-[[3-[2-ethoxy-4-(5-hydroxy-4-oxopentyl)cyclohexa-1,3-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 123658354
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
5-chloro-N-[[3-[4-(methoxyamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 142207900
5-chloro-N-[[(5S)-2-oxo-3-[4-[2-(oxolan-3-yl)-4,5-dihydroimidazol-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 25114718
5-chloro-N-[[3-[4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 72539282

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(NCC1CN(C2=C(OC(F)(F)F)C=C(N3CCOCC3=O)CC2)C(=O)O1)c1ccc(Cl)s1.
What is the InChIKey of 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?
The InChIKey is HBOZKZPYMGTOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N3O6S/c21-16-4-3-15(34-16)18(29)25-8-12-9-27(19(30)32-12)13-2-1-11(7-14(13)33-20(22,23)24)26-5-6-31-10-17(26)28/h3-4,7,12H,1-2,5-6,8-10H2,(H,25,29).
What are the key properties of 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?
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 has a molecular weight of 521.90 g/mol, XLogP of 3.24, 6 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-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 123752701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).