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

C14H17N3O2S — CID 136751355

IUPAC2-methyl-4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1cc(-c2nc(C3CSCCN3C)no2)ccc1O
InChIInChI=1S/C14H17N3O2S/c1-9-7-10(3-4-12(9)18)14-15-13(16-19-14)11-8-20-6-5-17(11)2/h3-4,7,11,18H,5-6,8H2,1-2H3
InChIKeyPQFUYWGKFLHCAN-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.47
Rot. Bonds2

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

2-methyl-4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136751355) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-methyl-4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-methyl-4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136751355
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-methyl-4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1cc(-c2nc(C3CSCCN3C)no2)ccc1O
InChIInChI=1S/C14H17N3O2S/c1-9-7-10(3-4-12(9)18)14-15-13(16-19-14)11-8-20-6-5-17(11)2/h3-4,7,11,18H,5-6,8H2,1-2H3
InChIKeyPQFUYWGKFLHCAN-UHFFFAOYSA-N
XLogP2.47
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

5-(2,3-dihydro-1H-isoindol-5-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole
CID 103594858
4-fluoro-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136693112
5-fluoro-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136790083
4-methyl-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103594731
4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 136693108
4-chloro-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503486
2,4-dimethyl-6-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103594888
4-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 103594952
2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103594958
2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 106446131
2-methyl-4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751119
5-ethyl-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 103594965

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-methyl-4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 136751355) is 2-methyl-4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-methyl-4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-methyl-4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol is Cc1cc(-c2nc(C3CSCCN3C)no2)ccc1O.
What is the InChIKey of 2-methyl-4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is PQFUYWGKFLHCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-7-10(3-4-12(9)18)14-15-13(16-19-14)11-8-20-6-5-17(11)2/h3-4,7,11,18H,5-6,8H2,1-2H3.
What are the key properties of 2-methyl-4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
2-methyl-4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 291.38 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136751355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).