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

C11H18F2N4O3 — CID 107485183

IUPAC2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CN(CCO)CC(F)F)o1
InChIInChI=1S/C11H18F2N4O3/c1-7(2)10-15-16-11(20-10)14-9(19)6-17(3-4-18)5-8(12)13/h7-8,18H,3-6H2,1-2H3,(H,14,16,19)
InChIKeyWZCLROGFAZLHPH-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.69
Rot. Bonds8

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

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 107485183) has the molecular formula C11H18F2N4O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID107485183
Molecular FormulaC11H18F2N4O3
Molecular Weight292.29 g/mol
Exact Mass292.13
IUPAC Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CN(CCO)CC(F)F)o1
InChIInChI=1S/C11H18F2N4O3/c1-7(2)10-15-16-11(20-10)14-9(19)6-17(3-4-18)5-8(12)13/h7-8,18H,3-6H2,1-2H3,(H,14,16,19)
InChIKeyWZCLROGFAZLHPH-UHFFFAOYSA-N
XLogP0.69
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 107485183) is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)CN(CCO)CC(F)F)o1.
What is the InChIKey of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is WZCLROGFAZLHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O3/c1-7(2)10-15-16-11(20-10)14-9(19)6-17(3-4-18)5-8(12)13/h7-8,18H,3-6H2,1-2H3,(H,14,16,19).
What are the key properties of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 292.29 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 107485183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).