2-[(5-chlorothiadiazol-4-yl)methyl]-1,2-oxazolidin-4-ol

C6H8ClN3O2S — CID 130523432

IUPAC2-[(5-chlorothiadiazol-4-yl)methyl]-1,2-oxazolidin-4-ol
SMILESOC1CON(Cc2nnsc2Cl)C1
InChIInChI=1S/C6H8ClN3O2S/c7-6-5(8-9-13-6)2-10-1-4(11)3-12-10/h4,11H,1-3H2
InChIKeyXUVOJMRHLHVXSI-UHFFFAOYSA-N
MW221.67 g/mol
LogP0.30
Rot. Bonds2

About 2-[(5-chlorothiadiazol-4-yl)methyl]-1,2-oxazolidin-4-ol

2-[(5-chlorothiadiazol-4-yl)methyl]-1,2-oxazolidin-4-ol (PubChem CID 130523432) has the molecular formula C6H8ClN3O2S and a molecular weight of 221.67 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methyl]-1,2-oxazolidin-4-ol.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methyl]-1,2-oxazolidin-4-ol
PubChem CID130523432
Molecular FormulaC6H8ClN3O2S
Molecular Weight221.67 g/mol
Exact Mass221.00
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methyl]-1,2-oxazolidin-4-ol
SMILESOC1CON(Cc2nnsc2Cl)C1
InChIInChI=1S/C6H8ClN3O2S/c7-6-5(8-9-13-6)2-10-1-4(11)3-12-10/h4,11H,1-3H2
InChIKeyXUVOJMRHLHVXSI-UHFFFAOYSA-N
XLogP0.30
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.67
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl]-1,2-oxazolidin-4-ol?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl]-1,2-oxazolidin-4-ol (CID 130523432) is 2-[(5-chlorothiadiazol-4-yl)methyl]-1,2-oxazolidin-4-ol.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methyl]-1,2-oxazolidin-4-ol?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methyl]-1,2-oxazolidin-4-ol is OC1CON(Cc2nnsc2Cl)C1.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methyl]-1,2-oxazolidin-4-ol?
The InChIKey is XUVOJMRHLHVXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O2S/c7-6-5(8-9-13-6)2-10-1-4(11)3-12-10/h4,11H,1-3H2.
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methyl]-1,2-oxazolidin-4-ol?
2-[(5-chlorothiadiazol-4-yl)methyl]-1,2-oxazolidin-4-ol has a molecular weight of 221.67 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiadiazol-4-yl)methyl]-1,2-oxazolidin-4-ol is sourced from PubChem (CID 130523432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).