N-[[(5S)-3-[(2E)-2-ethoxyimino-3-ethyl-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C17H22N4O4S — CID 11314944

IUPACN-[[(5S)-3-[(2E)-2-ethoxyimino-3-ethyl-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCCO/N=c1/sc2cc(N3C[C@H](CNC(C)=O)OC3=O)ccc2n1CC
InChIInChI=1S/C17H22N4O4S/c1-4-20-14-7-6-12(8-15(14)26-16(20)19-24-5-2)21-10-13(25-17(21)23)9-18-11(3)22/h6-8,13H,4-5,9-10H2,1-3H3,(H,18,22)/b19-16+/t13-/m0/s1
InChIKeyGGUBZTVZLJQAQO-NIGUIEARSA-N
MW378.45 g/mol
LogP2.04
Rot. Bonds6

About N-[[(5S)-3-[(2E)-2-ethoxyimino-3-ethyl-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[(2E)-2-ethoxyimino-3-ethyl-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11314944) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[[(5S)-3-[(2E)-2-ethoxyimino-3-ethyl-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[(2E)-2-ethoxyimino-3-ethyl-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11314944
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-[[(5S)-3-[(2E)-2-ethoxyimino-3-ethyl-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCCO/N=c1/sc2cc(N3C[C@H](CNC(C)=O)OC3=O)ccc2n1CC
InChIInChI=1S/C17H22N4O4S/c1-4-20-14-7-6-12(8-15(14)26-16(20)19-24-5-2)21-10-13(25-17(21)23)9-18-11(3)22/h6-8,13H,4-5,9-10H2,1-3H3,(H,18,22)/b19-16+/t13-/m0/s1
InChIKeyGGUBZTVZLJQAQO-NIGUIEARSA-N
XLogP2.04
TPSA85.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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
N-[[3-(2-hydroxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173214620
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-[[(5S)-3-[4-[(7Z)-7-ethoxyimino-5-azaspiro[2.4]heptan-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 44574899
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
tert-butyl N-[[3-(2-methoxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 173214204
ethyl 4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoate
CID 14809103
N-[(3-naphthalen-2-yl-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide
CID 19012489
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[(5S)-3-(3-hydroxy-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57061555
N-[[(5S)-3-(4-iodo-3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57270308
N-[[(5S)-3-[3-fluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15381194

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[(2E)-2-ethoxyimino-3-ethyl-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[(2E)-2-ethoxyimino-3-ethyl-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11314944) is N-[[(5S)-3-[(2E)-2-ethoxyimino-3-ethyl-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[(2E)-2-ethoxyimino-3-ethyl-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[(2E)-2-ethoxyimino-3-ethyl-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CCO/N=c1/sc2cc(N3C[C@H](CNC(C)=O)OC3=O)ccc2n1CC.
What is the InChIKey of N-[[(5S)-3-[(2E)-2-ethoxyimino-3-ethyl-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is GGUBZTVZLJQAQO-NIGUIEARSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-4-20-14-7-6-12(8-15(14)26-16(20)19-24-5-2)21-10-13(25-17(21)23)9-18-11(3)22/h6-8,13H,4-5,9-10H2,1-3H3,(H,18,22)/b19-16+/t13-/m0/s1.
What are the key properties of N-[[(5S)-3-[(2E)-2-ethoxyimino-3-ethyl-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[(2E)-2-ethoxyimino-3-ethyl-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 378.45 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[(2E)-2-ethoxyimino-3-ethyl-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11314944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).