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

C11H15F3N4O3 — CID 107485887

IUPACN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESO=C(CN(CCO)CC(F)(F)F)Nc1nnc(C2CC2)o1
InChIInChI=1S/C11H15F3N4O3/c12-11(13,14)6-18(3-4-19)5-8(20)15-10-17-16-9(21-10)7-1-2-7/h7,19H,1-6H2,(H,15,17,20)
InChIKeyUTICRTLYSMFNGG-UHFFFAOYSA-N
MW308.26 g/mol
LogP0.74
Rot. Bonds7

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

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide (PubChem CID 107485887) has the molecular formula C11H15F3N4O3 and a molecular weight of 308.26 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
PubChem CID107485887
Molecular FormulaC11H15F3N4O3
Molecular Weight308.26 g/mol
Exact Mass308.11
IUPAC NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESO=C(CN(CCO)CC(F)(F)F)Nc1nnc(C2CC2)o1
InChIInChI=1S/C11H15F3N4O3/c12-11(13,14)6-18(3-4-19)5-8(20)15-10-17-16-9(21-10)7-1-2-7/h7,19H,1-6H2,(H,15,17,20)
InChIKeyUTICRTLYSMFNGG-UHFFFAOYSA-N
XLogP0.74
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide (CID 107485887) is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide is O=C(CN(CCO)CC(F)(F)F)Nc1nnc(C2CC2)o1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide?
The InChIKey is UTICRTLYSMFNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O3/c12-11(13,14)6-18(3-4-19)5-8(20)15-10-17-16-9(21-10)7-1-2-7/h7,19H,1-6H2,(H,15,17,20).
What are the key properties of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide?
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide has a molecular weight of 308.26 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide is sourced from PubChem (CID 107485887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).