4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol

C11H19N3O2S — CID 106446045

IUPAC4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCC(O)CCc1nc(C2CSCCN2C)no1
InChIInChI=1S/C11H19N3O2S/c1-8(15)3-4-10-12-11(13-16-10)9-7-17-6-5-14(9)2/h8-9,15H,3-7H2,1-2H3
InChIKeyXFXPLBONYUNQPM-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.10
Rot. Bonds4

About 4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol

4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 106446045) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID106446045
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCC(O)CCc1nc(C2CSCCN2C)no1
InChIInChI=1S/C11H19N3O2S/c1-8(15)3-4-10-12-11(13-16-10)9-7-17-6-5-14(9)2/h8-9,15H,3-7H2,1-2H3
InChIKeyXFXPLBONYUNQPM-UHFFFAOYSA-N
XLogP1.10
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine
CID 103594721
2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 106446131
N-[2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 103594674
4,4-dimethyl-1-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103594805
1-methoxy-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 106446024
4-[3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 103594743
3-(4-methylthiomorpholin-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 106445899
4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106527981
4-methyl-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 106446091
ethyl 2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate
CID 103595000
N-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 106446088
4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116808973

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of 4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 106446045) is 4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for 4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for 4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol is CC(O)CCc1nc(C2CSCCN2C)no1.
What is the InChIKey of 4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is XFXPLBONYUNQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8(15)3-4-10-12-11(13-16-10)9-7-17-6-5-14(9)2/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 257.36 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 106446045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).