N-[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]acetamide

C19H20FN5O5S — CID 10216968

IUPACN-[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]acetamide
SMILESCC(=O)Nc1cn(C[C@H]2CN(c3ccc(C4=CCS(=O)(=O)CC4)c(F)c3)C(=O)O2)nn1
InChIInChI=1S/C19H20FN5O5S/c1-12(26)21-18-11-24(23-22-18)9-15-10-25(19(27)30-15)14-2-3-16(17(20)8-14)13-4-6-31(28,29)7-5-13/h2-4,8,11,15H,5-7,9-10H2,1H3,(H,21,26)/t15-/m0/s1
InChIKeyQDGICHNDKVOOOY-HNNXBMFYSA-N
MW449.46 g/mol
LogP1.60
Rot. Bonds5

About N-[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]acetamide

N-[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]acetamide (PubChem CID 10216968) has the molecular formula C19H20FN5O5S and a molecular weight of 449.46 g/mol. Its IUPAC name is N-[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]acetamide
PubChem CID10216968
Molecular FormulaC19H20FN5O5S
Molecular Weight449.46 g/mol
Exact Mass449.12
IUPAC NameN-[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]acetamide
SMILESCC(=O)Nc1cn(C[C@H]2CN(c3ccc(C4=CCS(=O)(=O)CC4)c(F)c3)C(=O)O2)nn1
InChIInChI=1S/C19H20FN5O5S/c1-12(26)21-18-11-24(23-22-18)9-15-10-25(19(27)30-15)14-2-3-16(17(20)8-14)13-4-6-31(28,29)7-5-13/h2-4,8,11,15H,5-7,9-10H2,1H3,(H,21,26)/t15-/m0/s1
InChIKeyQDGICHNDKVOOOY-HNNXBMFYSA-N
XLogP1.60
TPSA123.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-(bromomethyl)triazol-1-yl]methyl]-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 18447033
(5R)-5-[[4-(bromomethyl)triazol-1-yl]methyl]-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 10288930
3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-5-[[4-(methylsulfonylmethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 18447048
[amino-[[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]methylsulfanyl]methylidene]azanium
CID 58840979
[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]methyl diphenyl phosphate
CID 10312499
5-(aminomethyl)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one;methanamine
CID 142276629
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
3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-5-[(4-ethynyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 18447012
2-[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]acetonitrile
CID 10151536
(5R)-3-[3-fluoro-4-[(1R)-1-oxo-3,6-dihydro-2H-thiopyran-4-yl]phenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 68878195
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
(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

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]acetamide?
The IUPAC name of N-[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]acetamide (CID 10216968) is N-[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]acetamide.
What is the SMILES notation for N-[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]acetamide?
The canonical SMILES for N-[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]acetamide is CC(=O)Nc1cn(C[C@H]2CN(c3ccc(C4=CCS(=O)(=O)CC4)c(F)c3)C(=O)O2)nn1.
What is the InChIKey of N-[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]acetamide?
The InChIKey is QDGICHNDKVOOOY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20FN5O5S/c1-12(26)21-18-11-24(23-22-18)9-15-10-25(19(27)30-15)14-2-3-16(17(20)8-14)13-4-6-31(28,29)7-5-13/h2-4,8,11,15H,5-7,9-10H2,1H3,(H,21,26)/t15-/m0/s1.
What are the key properties of N-[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]acetamide?
N-[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]acetamide has a molecular weight of 449.46 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(5R)-3-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]acetamide is sourced from PubChem (CID 10216968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).