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

C19H18ClN3O6S — CID 94005071

IUPAC5-chloro-N-[[(4R,5S)-4-hydroxy-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H]1OC(=O)N(c2ccc(N3CCOCC3=O)cc2)[C@@H]1O)c1ccc(Cl)s1
InChIInChI=1S/C19H18ClN3O6S/c20-15-6-5-14(30-15)17(25)21-9-13-18(26)23(19(27)29-13)12-3-1-11(2-4-12)22-7-8-28-10-16(22)24/h1-6,13,18,26H,7-10H2,(H,21,25)/t13-,18+/m0/s1
InChIKeyYGGWNELFPGFWHH-SCLBCKFNSA-N
MW451.89 g/mol
LogP1.84
Rot. Bonds5

About 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

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 (PubChem CID 94005071) has the molecular formula C19H18ClN3O6S and a molecular weight of 451.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-chloro-N-[[(4R,5S)-4-hydroxy-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
PubChem CID94005071
Molecular FormulaC19H18ClN3O6S
Molecular Weight451.89 g/mol
Exact Mass451.06
IUPAC Name5-chloro-N-[[(4R,5S)-4-hydroxy-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H]1OC(=O)N(c2ccc(N3CCOCC3=O)cc2)[C@@H]1O)c1ccc(Cl)s1
InChIInChI=1S/C19H18ClN3O6S/c20-15-6-5-14(30-15)17(25)21-9-13-18(26)23(19(27)29-13)12-3-1-11(2-4-12)22-7-8-28-10-16(22)24/h1-6,13,18,26H,7-10H2,(H,21,25)/t13-,18+/m0/s1
InChIKeyYGGWNELFPGFWHH-SCLBCKFNSA-N
XLogP1.84
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.89
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

4-[4-[(5S)-5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-4-hydroxy-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 166708108
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
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CID 91826230
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CID 10202260
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-[[1-[4-(3-oxomorpholin-4-yl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]methyl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(NC[C@@H]1OC(=O)N(c2ccc(N3CCOCC3=O)cc2)[C@@H]1O)c1ccc(Cl)s1.
What is the InChIKey of 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?
The InChIKey is YGGWNELFPGFWHH-SCLBCKFNSA-N. The full InChI is InChI=1S/C19H18ClN3O6S/c20-15-6-5-14(30-15)17(25)21-9-13-18(26)23(19(27)29-13)12-3-1-11(2-4-12)22-7-8-28-10-16(22)24/h1-6,13,18,26H,7-10H2,(H,21,25)/t13-,18+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 451.89 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 94005071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).