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

C9H13F3N4O3 — CID 107485771

IUPAC2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CN(CCO)CC(F)(F)F)o1
InChIInChI=1S/C9H13F3N4O3/c1-6-14-15-8(19-6)13-7(18)4-16(2-3-17)5-9(10,11)12/h17H,2-5H2,1H3,(H,13,15,18)
InChIKeyRJLDXRHAEFXSCY-UHFFFAOYSA-N
MW282.22 g/mol
LogP0.17
Rot. Bonds6

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

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 107485771) has the molecular formula C9H13F3N4O3 and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID107485771
Molecular FormulaC9H13F3N4O3
Molecular Weight282.22 g/mol
Exact Mass282.09
IUPAC Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CN(CCO)CC(F)(F)F)o1
InChIInChI=1S/C9H13F3N4O3/c1-6-14-15-8(19-6)13-7(18)4-16(2-3-17)5-9(10,11)12/h17H,2-5H2,1H3,(H,13,15,18)
InChIKeyRJLDXRHAEFXSCY-UHFFFAOYSA-N
XLogP0.17
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (CID 107485771) is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CN(CCO)CC(F)(F)F)o1.
What is the InChIKey of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is RJLDXRHAEFXSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O3/c1-6-14-15-8(19-6)13-7(18)4-16(2-3-17)5-9(10,11)12/h17H,2-5H2,1H3,(H,13,15,18).
What are the key properties of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 282.22 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 107485771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).