4-methyl-3-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]-1,3-oxazolidin-2-one

C7H11N5O2S — CID 170761423

IUPAC4-methyl-3-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]-1,3-oxazolidin-2-one
SMILESCC1COC(=O)N1CCn1[nH]nnc1=S
InChIInChI=1S/C7H11N5O2S/c1-5-4-14-7(13)11(5)2-3-12-6(15)8-9-10-12/h5H,2-4H2,1H3,(H,8,10,15)
InChIKeyGAQQMPBYOQHBDY-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.18
Rot. Bonds3

About 4-methyl-3-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]-1,3-oxazolidin-2-one

4-methyl-3-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 170761423) has the molecular formula C7H11N5O2S and a molecular weight of 229.26 g/mol. Its IUPAC name is 4-methyl-3-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-3-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]-1,3-oxazolidin-2-one
PubChem CID170761423
Molecular FormulaC7H11N5O2S
Molecular Weight229.26 g/mol
Exact Mass229.06
IUPAC Name4-methyl-3-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]-1,3-oxazolidin-2-one
SMILESCC1COC(=O)N1CCn1[nH]nnc1=S
InChIInChI=1S/C7H11N5O2S/c1-5-4-14-7(13)11(5)2-3-12-6(15)8-9-10-12/h5H,2-4H2,1H3,(H,8,10,15)
InChIKeyGAQQMPBYOQHBDY-UHFFFAOYSA-N
XLogP0.18
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-3-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]-1,3-oxazolidin-2-one (CID 170761423) is 4-methyl-3-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-3-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-3-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]-1,3-oxazolidin-2-one is CC1COC(=O)N1CCn1[nH]nnc1=S.
What is the InChIKey of 4-methyl-3-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is GAQQMPBYOQHBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2S/c1-5-4-14-7(13)11(5)2-3-12-6(15)8-9-10-12/h5H,2-4H2,1H3,(H,8,10,15).
What are the key properties of 4-methyl-3-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]-1,3-oxazolidin-2-one?
4-methyl-3-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 229.26 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 170761423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).