2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

C14H17F3N4O3S — CID 9375055

IUPAC2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCCN(CC(=O)NCC(F)(F)F)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C14H17F3N4O3S/c1-23-5-4-21(7-11(22)18-9-14(15,16)17)8-12-19-20-13(24-12)10-3-2-6-25-10/h2-3,6H,4-5,7-9H2,1H3,(H,18,22)
InChIKeyIVULQLWQMOYIEV-UHFFFAOYSA-N
MW378.38 g/mol
LogP1.92
Rot. Bonds9

About 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 9375055) has the molecular formula C14H17F3N4O3S and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID9375055
Molecular FormulaC14H17F3N4O3S
Molecular Weight378.38 g/mol
Exact Mass378.10
IUPAC Name2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCCN(CC(=O)NCC(F)(F)F)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C14H17F3N4O3S/c1-23-5-4-21(7-11(22)18-9-14(15,16)17)8-12-19-20-13(24-12)10-3-2-6-25-10/h2-3,6H,4-5,7-9H2,1H3,(H,18,22)
InChIKeyIVULQLWQMOYIEV-UHFFFAOYSA-N
XLogP1.92
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide 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-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 9375055) is 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is COCCN(CC(=O)NCC(F)(F)F)Cc1nnc(-c2cccs2)o1.
What is the InChIKey of 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IVULQLWQMOYIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O3S/c1-23-5-4-21(7-11(22)18-9-14(15,16)17)8-12-19-20-13(24-12)10-3-2-6-25-10/h2-3,6H,4-5,7-9H2,1H3,(H,18,22).
What are the key properties of 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 378.38 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 9375055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).