[2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate

C21H21F2N5O5S — CID 54137782

IUPAC[2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N1CC=C(c2c(F)cc(N3C[C@H](CNc4cnsn4)OC3=O)cc2F)CC1
InChIInChI=1S/C21H21F2N5O5S/c1-12(29)32-11-19(30)27-4-2-13(3-5-27)20-16(22)6-14(7-17(20)23)28-10-15(33-21(28)31)8-24-18-9-25-34-26-18/h2,6-7,9,15H,3-5,8,10-11H2,1H3,(H,24,26)/t15-/m0/s1
InChIKeyNYXSLQKLFAONGJ-HNNXBMFYSA-N
MW493.49 g/mol
LogP2.43
Rot. Bonds7

About [2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate

[2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate (PubChem CID 54137782) has the molecular formula C21H21F2N5O5S and a molecular weight of 493.49 g/mol. Its IUPAC name is [2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate
PubChem CID54137782
Molecular FormulaC21H21F2N5O5S
Molecular Weight493.49 g/mol
Exact Mass493.12
IUPAC Name[2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N1CC=C(c2c(F)cc(N3C[C@H](CNc4cnsn4)OC3=O)cc2F)CC1
InChIInChI=1S/C21H21F2N5O5S/c1-12(29)32-11-19(30)27-4-2-13(3-5-27)20-16(22)6-14(7-17(20)23)28-10-15(33-21(28)31)8-24-18-9-25-34-26-18/h2,6-7,9,15H,3-5,8,10-11H2,1H3,(H,24,26)/t15-/m0/s1
InChIKeyNYXSLQKLFAONGJ-HNNXBMFYSA-N
XLogP2.43
TPSA113.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate with MolForge

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Launch Full Analysis

Related Compounds

(5S)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-5-[(pyrazin-2-ylamino)methyl]-1,3-oxazolidin-2-one
CID 20725661
[2-[4-[4-[(5S)-5-(3-amino-3-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate
CID 70169966
[2-[4-[4-[5-[[(2,2-difluoro-1-sulfanylethyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] acetate
CID 76547544
methyl 2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoacetate
CID 70117574
[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] butanoate
CID 57157683
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
3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 163785175
N-[[(5S)-3-[3-fluoro-4-[1-(thiophene-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11236107
[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] decanoate
CID 56991299
2-[[(5R)-3-[3,5-difluoro-4-[1-[(2S)-2-hydroxybutanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2-oxazol-3-one
CID 58746160
tert-butyl N-[[(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(1,2,5-thiadiazol-3-yl)carbamate
CID 54183720
N-[[(5S)-3-[4-[1-(2-naphthalen-2-yloxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57154813

Frequently Asked Questions

What is the IUPAC name of [2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate?
The IUPAC name of [2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate (CID 54137782) is [2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate?
The canonical SMILES for [2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate is CC(=O)OCC(=O)N1CC=C(c2c(F)cc(N3C[C@H](CNc4cnsn4)OC3=O)cc2F)CC1.
What is the InChIKey of [2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate?
The InChIKey is NYXSLQKLFAONGJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H21F2N5O5S/c1-12(29)32-11-19(30)27-4-2-13(3-5-27)20-16(22)6-14(7-17(20)23)28-10-15(33-21(28)31)8-24-18-9-25-34-26-18/h2,6-7,9,15H,3-5,8,10-11H2,1H3,(H,24,26)/t15-/m0/s1.
What are the key properties of [2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate?
[2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate has a molecular weight of 493.49 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[2,6-difluoro-4-[(5S)-2-oxo-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate is sourced from PubChem (CID 54137782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).