N-[[3-(2-hydroxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C14H16N4O4S — CID 173214620

IUPACN-[[3-(2-hydroxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc3c(c2)sc(=NO)n3C)C(=O)O1
InChIInChI=1S/C14H16N4O4S/c1-8(19)15-6-10-7-18(14(20)22-10)9-3-4-11-12(5-9)23-13(16-21)17(11)2/h3-5,10,21H,6-7H2,1-2H3,(H,15,19)
InChIKeySNICTYREVIXYSQ-UHFFFAOYSA-N
MW336.37 g/mol
LogP0.99
Rot. Bonds3

About N-[[3-(2-hydroxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-(2-hydroxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 173214620) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[[3-(2-hydroxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(2-hydroxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID173214620
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC NameN-[[3-(2-hydroxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc3c(c2)sc(=NO)n3C)C(=O)O1
InChIInChI=1S/C14H16N4O4S/c1-8(19)15-6-10-7-18(14(20)22-10)9-3-4-11-12(5-9)23-13(16-21)17(11)2/h3-5,10,21H,6-7H2,1-2H3,(H,15,19)
InChIKeySNICTYREVIXYSQ-UHFFFAOYSA-N
XLogP0.99
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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-[(2E)-2-ethoxyimino-3-ethyl-1,3-benzothiazol-6-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11314944
tert-butyl N-[[3-(2-methoxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 173214204
N-[[(5S)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide
CID 15341034
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[(5S)-3-(4-amino-3-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54229929
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
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-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-hydroxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-(2-hydroxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 173214620) is N-[[3-(2-hydroxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-(2-hydroxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-(2-hydroxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc3c(c2)sc(=NO)n3C)C(=O)O1.
What is the InChIKey of N-[[3-(2-hydroxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is SNICTYREVIXYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-8(19)15-6-10-7-18(14(20)22-10)9-3-4-11-12(5-9)23-13(16-21)17(11)2/h3-5,10,21H,6-7H2,1-2H3,(H,15,19).
What are the key properties of N-[[3-(2-hydroxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-(2-hydroxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 336.37 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-hydroxyimino-3-methyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 173214620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).