3-(oxolan-2-yl)-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole;hydrochloride

C9H14ClN3O2S — CID 120893816

IUPAC3-(oxolan-2-yl)-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole;hydrochloride
SMILESC1COC(c2noc(C3CSCN3)n2)C1.Cl
InChIInChI=1S/C9H13N3O2S.ClH/c1-2-7(13-3-1)8-11-9(14-12-8)6-4-15-5-10-6;/h6-7,10H,1-5H2;1H
InChIKeySVVXWEGSNQMHPI-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.68
Rot. Bonds2

About 3-(oxolan-2-yl)-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole;hydrochloride

3-(oxolan-2-yl)-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120893816) has the molecular formula C9H14ClN3O2S and a molecular weight of 263.75 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(oxolan-2-yl)-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120893816
Molecular FormulaC9H14ClN3O2S
Molecular Weight263.75 g/mol
Exact Mass263.05
IUPAC Name3-(oxolan-2-yl)-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole;hydrochloride
SMILESC1COC(c2noc(C3CSCN3)n2)C1.Cl
InChIInChI=1S/C9H13N3O2S.ClH/c1-2-7(13-3-1)8-11-9(14-12-8)6-4-15-5-10-6;/h6-7,10H,1-5H2;1H
InChIKeySVVXWEGSNQMHPI-UHFFFAOYSA-N
XLogP1.68
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(oxolan-2-yl)-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole;hydrochloride (CID 120893816) is 3-(oxolan-2-yl)-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(oxolan-2-yl)-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(oxolan-2-yl)-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole;hydrochloride is C1COC(c2noc(C3CSCN3)n2)C1.Cl.
What is the InChIKey of 3-(oxolan-2-yl)-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is SVVXWEGSNQMHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S.ClH/c1-2-7(13-3-1)8-11-9(14-12-8)6-4-15-5-10-6;/h6-7,10H,1-5H2;1H.
What are the key properties of 3-(oxolan-2-yl)-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
3-(oxolan-2-yl)-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 263.75 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120893816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).