tert-butyl N-[[3-(2-methoxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

C18H24N4O5S — CID 173214204

IUPACtert-butyl N-[[3-(2-methoxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCON=c1sc2cc(N3CC(CNC(=O)OC(C)(C)C)OC3=O)ccc2n1C
InChIInChI=1S/C18H24N4O5S/c1-18(2,3)27-16(23)19-9-12-10-22(17(24)26-12)11-6-7-13-14(8-11)28-15(20-25-5)21(13)4/h6-8,12H,9-10H2,1-5H3,(H,19,23)
InChIKeyLUBQIELOMPXQGK-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.55
Rot. Bonds4

About tert-butyl N-[[3-(2-methoxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

tert-butyl N-[[3-(2-methoxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 173214204) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is tert-butyl N-[[3-(2-methoxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(2-methoxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
PubChem CID173214204
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Nametert-butyl N-[[3-(2-methoxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCON=c1sc2cc(N3CC(CNC(=O)OC(C)(C)C)OC3=O)ccc2n1C
InChIInChI=1S/C18H24N4O5S/c1-18(2,3)27-16(23)19-9-12-10-22(17(24)26-12)11-6-7-13-14(8-11)28-15(20-25-5)21(13)4/h6-8,12H,9-10H2,1-5H3,(H,19,23)
InChIKeyLUBQIELOMPXQGK-UHFFFAOYSA-N
XLogP2.55
TPSA94.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[3-(3-ethyl-2-methoxyimino-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 173214393
acetyl acetate;N-[[(5S)-3-(2-methoxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173214372
N-[[3-(2-hydroxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173214620
methyl N-[[3-(2-methoxyimino-1-methyl-3,4-dihydroquinolin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 72791269
tert-butyl N-[[(5S)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 67539880
N-[[(5S)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide
CID 15341034
N-[[(5S)-3-[(2E)-2-ethoxyimino-3-ethyl-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11314944
tert-butyl N-[2-[(5S)-3-(4-amino-3-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]ethyl]carbamate
CID 139751877
tert-butyl N-[[(5S)-3-(3-fluoro-4-piperazin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;formaldehyde
CID 91500548
tert-butyl N-[[(5S)-3-[4-[4-[(5S)-5-[(dimethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 10053177
5-chloro-N-[[3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 21070748
tert-butyl N-[[3-[3-fluoro-4-[4-(2-methylsulfanylacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 72519228

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(2-methoxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(2-methoxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (CID 173214204) is tert-butyl N-[[3-(2-methoxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(2-methoxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(2-methoxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is CON=c1sc2cc(N3CC(CNC(=O)OC(C)(C)C)OC3=O)ccc2n1C.
What is the InChIKey of tert-butyl N-[[3-(2-methoxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The InChIKey is LUBQIELOMPXQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-18(2,3)27-16(23)19-9-12-10-22(17(24)26-12)11-6-7-13-14(8-11)28-15(20-25-5)21(13)4/h6-8,12H,9-10H2,1-5H3,(H,19,23).
What are the key properties of tert-butyl N-[[3-(2-methoxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
tert-butyl N-[[3-(2-methoxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 408.48 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(2-methoxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 173214204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).