3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol

C10H14N2O3S — CID 79968592

IUPAC3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
SMILESOC1CC(c2nc(C3CSCCO3)no2)C1
InChIInChI=1S/C10H14N2O3S/c13-7-3-6(4-7)10-11-9(12-15-10)8-5-16-2-1-14-8/h6-8,13H,1-5H2
InChIKeyMTGFJGZPGXHQJQ-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.11
Rot. Bonds2

About 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol

3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol (PubChem CID 79968592) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
PubChem CID79968592
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
SMILESOC1CC(c2nc(C3CSCCO3)no2)C1
InChIInChI=1S/C10H14N2O3S/c13-7-3-6(4-7)10-11-9(12-15-10)8-5-16-2-1-14-8/h6-8,13H,1-5H2
InChIKeyMTGFJGZPGXHQJQ-UHFFFAOYSA-N
XLogP1.11
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol?
The IUPAC name of 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol (CID 79968592) is 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol is OC1CC(c2nc(C3CSCCO3)no2)C1.
What is the InChIKey of 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol?
The InChIKey is MTGFJGZPGXHQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c13-7-3-6(4-7)10-11-9(12-15-10)8-5-16-2-1-14-8/h6-8,13H,1-5H2.
What are the key properties of 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol?
3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol has a molecular weight of 242.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol is sourced from PubChem (CID 79968592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).