3-nitroso-5-thiophen-2-yl-1,3-oxazolidin-2-one

C7H6N2O3S — CID 134897386

IUPAC3-nitroso-5-thiophen-2-yl-1,3-oxazolidin-2-one
SMILESO=NN1CC(c2cccs2)OC1=O
InChIInChI=1S/C7H6N2O3S/c10-7-9(8-11)4-5(12-7)6-2-1-3-13-6/h1-3,5H,4H2
InChIKeyPMXQHMMEAWLZGE-UHFFFAOYSA-N
MW198.20 g/mol
LogP1.92
Rot. Bonds2

About 3-nitroso-5-thiophen-2-yl-1,3-oxazolidin-2-one

3-nitroso-5-thiophen-2-yl-1,3-oxazolidin-2-one (PubChem CID 134897386) has the molecular formula C7H6N2O3S and a molecular weight of 198.20 g/mol. Its IUPAC name is 3-nitroso-5-thiophen-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-nitroso-5-thiophen-2-yl-1,3-oxazolidin-2-one
PubChem CID134897386
Molecular FormulaC7H6N2O3S
Molecular Weight198.20 g/mol
Exact Mass198.01
IUPAC Name3-nitroso-5-thiophen-2-yl-1,3-oxazolidin-2-one
SMILESO=NN1CC(c2cccs2)OC1=O
InChIInChI=1S/C7H6N2O3S/c10-7-9(8-11)4-5(12-7)6-2-1-3-13-6/h1-3,5H,4H2
InChIKeyPMXQHMMEAWLZGE-UHFFFAOYSA-N
XLogP1.92
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S,5S)-3-azido-5-thiophen-2-yloxolan-2-one
CID 102451785
3-thiophen-2-yl-3,4-dihydroisochromen-1-one
CID 2752697
2-oxo-5-thiophen-2-yloxolane-3-carbonitrile
CID 82125687
2-thiophen-2-ylmorpholin-4-amine
CID 82280994
6-thiophen-2-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbaldehyde
CID 121204824
(4S,5R)-3-methylidene-4,5-dithiophen-2-yloxolan-2-one
CID 101204695
4-thiophen-2-yl-1,3-oxazolidine-2,5-dione
CID 13312725
1,4-dithiophen-2-yl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-3,6-dione
CID 77153151
2-thiophen-2-yl-3,4-dihydro-2H-furo[3,4-b][1,4]oxazine
CID 82377314
3,6-bis(4-nitrophenyl)-4-thiophen-2-yl-1,3-oxazinan-2-one
CID 52937999
(5R,6S)-5-bromo-6-thiophen-2-yloxan-2-one
CID 134965227
3-thiophen-2-yloxolan-2-one
CID 142704105

Frequently Asked Questions

What is the IUPAC name of 3-nitroso-5-thiophen-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-nitroso-5-thiophen-2-yl-1,3-oxazolidin-2-one (CID 134897386) is 3-nitroso-5-thiophen-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-nitroso-5-thiophen-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-nitroso-5-thiophen-2-yl-1,3-oxazolidin-2-one is O=NN1CC(c2cccs2)OC1=O.
What is the InChIKey of 3-nitroso-5-thiophen-2-yl-1,3-oxazolidin-2-one?
The InChIKey is PMXQHMMEAWLZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3S/c10-7-9(8-11)4-5(12-7)6-2-1-3-13-6/h1-3,5H,4H2.
What are the key properties of 3-nitroso-5-thiophen-2-yl-1,3-oxazolidin-2-one?
3-nitroso-5-thiophen-2-yl-1,3-oxazolidin-2-one has a molecular weight of 198.20 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitroso-5-thiophen-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134897386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).