2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,3-diol

C11H15N3O3S — CID 75436513

IUPAC2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,3-diol
SMILESCC(CO)(CO)NCc1noc(-c2ccsc2)n1
InChIInChI=1S/C11H15N3O3S/c1-11(6-15,7-16)12-4-9-13-10(17-14-9)8-2-3-18-5-8/h2-3,5,12,15-16H,4,6-7H2,1H3
InChIKeyOGAHMNVTZCVUAC-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.63
Rot. Bonds6

About 2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,3-diol

2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,3-diol (PubChem CID 75436513) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,3-diol
PubChem CID75436513
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,3-diol
SMILESCC(CO)(CO)NCc1noc(-c2ccsc2)n1
InChIInChI=1S/C11H15N3O3S/c1-11(6-15,7-16)12-4-9-13-10(17-14-9)8-2-3-18-5-8/h2-3,5,12,15-16H,4,6-7H2,1H3
InChIKeyOGAHMNVTZCVUAC-UHFFFAOYSA-N
XLogP0.63
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,3-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,3-diol (CID 75436513) is 2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,3-diol is CC(CO)(CO)NCc1noc(-c2ccsc2)n1.
What is the InChIKey of 2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,3-diol?
The InChIKey is OGAHMNVTZCVUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-11(6-15,7-16)12-4-9-13-10(17-14-9)8-2-3-18-5-8/h2-3,5,12,15-16H,4,6-7H2,1H3.
What are the key properties of 2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,3-diol?
2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,3-diol has a molecular weight of 269.33 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 75436513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).