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

C10H15N3O3S — CID 106743550

IUPAC3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESOC1(c2nc(C3CSCCO3)no2)CCNC1
InChIInChI=1S/C10H15N3O3S/c14-10(1-2-11-6-10)9-12-8(13-16-9)7-5-17-4-3-15-7/h7,11,14H,1-6H2
InChIKeyMZJMGKWOICBBHC-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.05
Rot. Bonds2

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

3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 106743550) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID106743550
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESOC1(c2nc(C3CSCCO3)no2)CCNC1
InChIInChI=1S/C10H15N3O3S/c14-10(1-2-11-6-10)9-12-8(13-16-9)7-5-17-4-3-15-7/h7,11,14H,1-6H2
InChIKeyMZJMGKWOICBBHC-UHFFFAOYSA-N
XLogP0.05
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743552
3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride
CID 86775615
3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine
CID 79962782
3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743618
4-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950322
4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
CID 106950067
3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743686
3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743346
3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
CID 79968592
4-methyl-3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 79968839
3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743499
3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743688

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 106743550) is 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is OC1(c2nc(C3CSCCO3)no2)CCNC1.
What is the InChIKey of 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is MZJMGKWOICBBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c14-10(1-2-11-6-10)9-12-8(13-16-9)7-5-17-4-3-15-7/h7,11,14H,1-6H2.
What are the key properties of 3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 257.31 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 7 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]pyrrolidin-3-ol is sourced from PubChem (CID 106743550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).