2-methyl-2-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol

C12H17N3O2S — CID 115638239

About 2-methyl-2-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol

2-methyl-2-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol (PubChem CID 115638239) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol.

Molecular Properties

• Compound Name: 2-methyl-2-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
• PubChem CID: 115638239
• Molecular Formula: C12H17N3O2S
• Molecular Weight: 267.35 g/mol
• Exact Mass: 267.10
• IUPAC Name: 2-methyl-2-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
• SMILES: CN(Cc1noc(-c2cccs2)n1)C(C)(C)CO
• InChI: InChI=1S/C12H17N3O2S/c1-12(2,8-16)15(3)7-10-13-11(17-14-10)9-5-4-6-18-9/h4-6,16H,7-8H2,1-3H3
• InChIKey: KGDSSPCPMLYWDX-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 62.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.35
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol?

The IUPAC name of 2-methyl-2-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol (CID 115638239) is 2-methyl-2-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol.

What is the SMILES notation for 2-methyl-2-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol?

The canonical SMILES for 2-methyl-2-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol is CN(Cc1noc(-c2cccs2)n1)C(C)(C)CO.

What is the InChIKey of 2-methyl-2-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol?

The InChIKey is KGDSSPCPMLYWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-12(2,8-16)15(3)7-10-13-11(17-14-10)9-5-4-6-18-9/h4-6,16H,7-8H2,1-3H3.

What are the key properties of 2-methyl-2-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol?

2-methyl-2-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol has a molecular weight of 267.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 115638239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).