4-[4-[(5S)-5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-4-hydroxy-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one

C19H20ClN3O5S — CID 166708108

IUPAC4-[4-[(5S)-5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-4-hydroxy-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(N2C(=O)O[C@@H](CNCc3ccc(Cl)s3)C2O)cc1
InChIInChI=1S/C19H20ClN3O5S/c20-16-6-5-14(29-16)9-21-10-15-18(25)23(19(26)28-15)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,15,18,21,25H,7-11H2/t15-,18?/m0/s1
InChIKeyDYCPQWZMLNMWIO-BUSXIPJBSA-N
MW437.91 g/mol
LogP2.20
Rot. Bonds6

About 4-[4-[(5S)-5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-4-hydroxy-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one

4-[4-[(5S)-5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-4-hydroxy-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one (PubChem CID 166708108) has the molecular formula C19H20ClN3O5S and a molecular weight of 437.91 g/mol. Its IUPAC name is 4-[4-[(5S)-5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-4-hydroxy-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[(5S)-5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-4-hydroxy-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
PubChem CID166708108
Molecular FormulaC19H20ClN3O5S
Molecular Weight437.91 g/mol
Exact Mass437.08
IUPAC Name4-[4-[(5S)-5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-4-hydroxy-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(N2C(=O)O[C@@H](CNCc3ccc(Cl)s3)C2O)cc1
InChIInChI=1S/C19H20ClN3O5S/c20-16-6-5-14(29-16)9-21-10-15-18(25)23(19(26)28-15)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,15,18,21,25H,7-11H2/t15-,18?/m0/s1
InChIKeyDYCPQWZMLNMWIO-BUSXIPJBSA-N
XLogP2.20
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.91
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-[(5S)-5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-4-hydroxy-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one with MolForge

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Related Compounds

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
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
4-[4-[5-[(hydroxymethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 122625984
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
4-[4-[5-[(benzylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 71272776
4-[4-[5-[[(5-chlorothiophen-2-yl)methylideneamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 78155057
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-[5-oxo-1-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-3-yl]thiophene-2-carboxamide;methoxymethane
CID 143254138
5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 25099710
(3R,3aR)-3-(hydroxymethyl)-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one
CID 90295587
5-chloro-N-[[3-hydroxy-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide
CID 25051766
N-[[(3S,3aS)-1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-3-yl]methyl]-6-chloro-1-benzothiophene-2-carboxamide
CID 118519580

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5S)-5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-4-hydroxy-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one?
The IUPAC name of 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) is 4-[4-[(5S)-5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-4-hydroxy-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-[(5S)-5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-4-hydroxy-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-[(5S)-5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-4-hydroxy-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one is O=C1COCCN1c1ccc(N2C(=O)O[C@@H](CNCc3ccc(Cl)s3)C2O)cc1.
What is the InChIKey of 4-[4-[(5S)-5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-4-hydroxy-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one?
The InChIKey is DYCPQWZMLNMWIO-BUSXIPJBSA-N. The full InChI is InChI=1S/C19H20ClN3O5S/c20-16-6-5-14(29-16)9-21-10-15-18(25)23(19(26)28-15)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,15,18,21,25H,7-11H2/t15-,18?/m0/s1.
What are the key properties of 4-[4-[(5S)-5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-4-hydroxy-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one?
4-[4-[(5S)-5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-4-hydroxy-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one has a molecular weight of 437.91 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5S)-5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-4-hydroxy-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one is sourced from PubChem (CID 166708108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).