2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol

C14H17N3O2S — CID 106446131

IUPAC2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESCN1CCSCC1c1noc(Cc2ccccc2O)n1
InChIInChI=1S/C14H17N3O2S/c1-17-6-7-20-9-11(17)14-15-13(19-16-14)8-10-4-2-3-5-12(10)18/h2-5,11,18H,6-9H2,1H3
InChIKeyQEOLTQSWAYAXHE-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.09
Rot. Bonds3

About 2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol

2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol (PubChem CID 106446131) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
PubChem CID106446131
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESCN1CCSCC1c1noc(Cc2ccccc2O)n1
InChIInChI=1S/C14H17N3O2S/c1-17-6-7-20-9-11(17)14-15-13(19-16-14)8-10-4-2-3-5-12(10)18/h2-5,11,18H,6-9H2,1H3
InChIKeyQEOLTQSWAYAXHE-UHFFFAOYSA-N
XLogP2.09
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 103594674
4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 106446045
1-methoxy-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 106446024
2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103594958
2-methyl-4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751355
5-fluoro-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136790083
4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 136693108
5-[chloro(phenyl)methyl]-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole
CID 103594663
4-fluoro-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136693112
2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740996
5-[(2-chlorophenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960648
4,4-dimethyl-1-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103594805

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The IUPAC name of 2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol (CID 106446131) is 2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol.
What is the SMILES notation for 2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The canonical SMILES for 2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol is CN1CCSCC1c1noc(Cc2ccccc2O)n1.
What is the InChIKey of 2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The InChIKey is QEOLTQSWAYAXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-17-6-7-20-9-11(17)14-15-13(19-16-14)8-10-4-2-3-5-12(10)18/h2-5,11,18H,6-9H2,1H3.
What are the key properties of 2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol has a molecular weight of 291.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol is sourced from PubChem (CID 106446131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).