N-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-1,2-oxazole-5-carboxamide

C22H20FN5O6S — CID 142176003

IUPACN-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-1,2-oxazole-5-carboxamide
SMILESO=C(N=S1(=O)CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1)c1ccno1
InChIInChI=1S/C22H20FN5O6S/c23-18-11-15(28-13-16(33-22(28)30)12-24-20-4-8-32-26-20)1-2-17(18)14-5-9-35(31,10-6-14)27-21(29)19-3-7-25-34-19/h1-5,7-8,11,16H,6,9-10,12-13H2,(H,24,26)/t16-,35?/m0/s1
InChIKeyBAQVZAXESPKLHZ-AXFFKAMTSA-N
MW501.50 g/mol
LogP3.33
Rot. Bonds6

About N-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-1,2-oxazole-5-carboxamide

N-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-1,2-oxazole-5-carboxamide (PubChem CID 142176003) has the molecular formula C22H20FN5O6S and a molecular weight of 501.50 g/mol. Its IUPAC name is N-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-1,2-oxazole-5-carboxamide
PubChem CID142176003
Molecular FormulaC22H20FN5O6S
Molecular Weight501.50 g/mol
Exact Mass501.11
IUPAC NameN-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-1,2-oxazole-5-carboxamide
SMILESO=C(N=S1(=O)CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1)c1ccno1
InChIInChI=1S/C22H20FN5O6S/c23-18-11-15(28-13-16(33-22(28)30)12-24-20-4-8-32-26-20)1-2-17(18)14-5-9-35(31,10-6-14)27-21(29)19-3-7-25-34-19/h1-5,7-8,11,16H,6,9-10,12-13H2,(H,24,26)/t16-,35?/m0/s1
InChIKeyBAQVZAXESPKLHZ-AXFFKAMTSA-N
XLogP3.33
TPSA140.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-1,2-oxazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[2,6-difluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxyacetamide
CID 10206165
N-[4-[2-fluoro-4-[(5S)-5-[2-(1,2-oxazol-3-yl)ethyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxyacetamide
CID 10226661
N-[[(5S)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 139995298
(2S)-N-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxypropanamide
CID 142175980
N-[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]acetamide
CID 10296532
(5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one
CID 70202099
N-[[(5R)-3-[4-(1-ethylsulfonylimino-1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10162427
N-[[3-[3-fluoro-4-(1-oxo-1-propan-2-ylsulfonylimino-3,6-dihydro-2H-thiopyran-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 85326719
3-[[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]amino]propyl butanoate
CID 142175976
5-(aminomethyl)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one;methanamine
CID 142276629
(5R)-6-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile
CID 147675208
3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one
CID 22014514

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-1,2-oxazole-5-carboxamide (CID 142176003) is N-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-1,2-oxazole-5-carboxamide is O=C(N=S1(=O)CC=C(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CC1)c1ccno1.
What is the InChIKey of N-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-1,2-oxazole-5-carboxamide?
The InChIKey is BAQVZAXESPKLHZ-AXFFKAMTSA-N. The full InChI is InChI=1S/C22H20FN5O6S/c23-18-11-15(28-13-16(33-22(28)30)12-24-20-4-8-32-26-20)1-2-17(18)14-5-9-35(31,10-6-14)27-21(29)19-3-7-25-34-19/h1-5,7-8,11,16H,6,9-10,12-13H2,(H,24,26)/t16-,35?/m0/s1.
What are the key properties of N-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-1,2-oxazole-5-carboxamide?
N-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-1,2-oxazole-5-carboxamide has a molecular weight of 501.50 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-fluoro-4-[(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 142176003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).