[(2R,3S)-3-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]butan-2-yl] N-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]carbamate

C30H27FN6O6S — CID 139522777

IUPAC[(2R,3S)-3-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]butan-2-yl] N-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]carbamate
SMILESCOc1cnc2c(-c3nc4cc(F)c(O[C@@H](C)[C@@H](C)OC(=O)Nc5ccc(N6CCOC6=O)nc5)cc4s3)cc(C)cc2n1
InChIInChI=1S/C30H27FN6O6S/c1-15-9-19(27-22(10-15)35-26(40-4)14-33-27)28-36-21-11-20(31)23(12-24(21)44-28)42-16(2)17(3)43-29(38)34-18-5-6-25(32-13-18)37-7-8-41-30(37)39/h5-6,9-14,16-17H,7-8H2,1-4H3,(H,34,38)/t16-,17+/m0/s1
InChIKeyZYRPMIZGOJHYDF-DLBZAZTESA-N
MW618.65 g/mol
LogP6.12
Rot. Bonds8

About [(2R,3S)-3-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]butan-2-yl] N-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]carbamate

[(2R,3S)-3-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]butan-2-yl] N-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]carbamate (PubChem CID 139522777) has the molecular formula C30H27FN6O6S and a molecular weight of 618.65 g/mol. Its IUPAC name is [(2R,3S)-3-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]butan-2-yl] N-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Name[(2R,3S)-3-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]butan-2-yl] N-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]carbamate
PubChem CID139522777
Molecular FormulaC30H27FN6O6S
Molecular Weight618.65 g/mol
Exact Mass618.17
IUPAC Name[(2R,3S)-3-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]butan-2-yl] N-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]carbamate
SMILESCOc1cnc2c(-c3nc4cc(F)c(O[C@@H](C)[C@@H](C)OC(=O)Nc5ccc(N6CCOC6=O)nc5)cc4s3)cc(C)cc2n1
InChIInChI=1S/C30H27FN6O6S/c1-15-9-19(27-22(10-15)35-26(40-4)14-33-27)28-36-21-11-20(31)23(12-24(21)44-28)42-16(2)17(3)43-29(38)34-18-5-6-25(32-13-18)37-7-8-41-30(37)39/h5-6,9-14,16-17H,7-8H2,1-4H3,(H,34,38)/t16-,17+/m0/s1
InChIKeyZYRPMIZGOJHYDF-DLBZAZTESA-N
XLogP6.12
TPSA137.89 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500618.65
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze [(2R,3S)-3-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]butan-2-yl] N-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]butan-2-yl] N-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]carbamate?
The IUPAC name of [(2R,3S)-3-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]butan-2-yl] N-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]carbamate (CID 139522777) is [(2R,3S)-3-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]butan-2-yl] N-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]carbamate.
What is the SMILES notation for [(2R,3S)-3-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]butan-2-yl] N-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]carbamate?
The canonical SMILES for [(2R,3S)-3-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]butan-2-yl] N-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]carbamate is COc1cnc2c(-c3nc4cc(F)c(O[C@@H](C)[C@@H](C)OC(=O)Nc5ccc(N6CCOC6=O)nc5)cc4s3)cc(C)cc2n1.
What is the InChIKey of [(2R,3S)-3-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]butan-2-yl] N-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]carbamate?
The InChIKey is ZYRPMIZGOJHYDF-DLBZAZTESA-N. The full InChI is InChI=1S/C30H27FN6O6S/c1-15-9-19(27-22(10-15)35-26(40-4)14-33-27)28-36-21-11-20(31)23(12-24(21)44-28)42-16(2)17(3)43-29(38)34-18-5-6-25(32-13-18)37-7-8-41-30(37)39/h5-6,9-14,16-17H,7-8H2,1-4H3,(H,34,38)/t16-,17+/m0/s1.
What are the key properties of [(2R,3S)-3-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]butan-2-yl] N-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]carbamate?
[(2R,3S)-3-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]butan-2-yl] N-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]carbamate has a molecular weight of 618.65 g/mol, XLogP of 6.12, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]butan-2-yl] N-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]carbamate is sourced from PubChem (CID 139522777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).