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

C11H16F2N4O3 — CID 107485670

IUPACN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
SMILESO=C(CN(CCO)CC(F)F)Nc1nnc(C2CC2)o1
InChIInChI=1S/C11H16F2N4O3/c12-8(13)5-17(3-4-18)6-9(19)14-11-16-15-10(20-11)7-1-2-7/h7-8,18H,1-6H2,(H,14,16,19)
InChIKeyOXHWWOKWDYVUBP-UHFFFAOYSA-N
MW290.27 g/mol
LogP0.44
Rot. Bonds8

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

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide (PubChem CID 107485670) has the molecular formula C11H16F2N4O3 and a molecular weight of 290.27 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
PubChem CID107485670
Molecular FormulaC11H16F2N4O3
Molecular Weight290.27 g/mol
Exact Mass290.12
IUPAC NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
SMILESO=C(CN(CCO)CC(F)F)Nc1nnc(C2CC2)o1
InChIInChI=1S/C11H16F2N4O3/c12-8(13)5-17(3-4-18)6-9(19)14-11-16-15-10(20-11)7-1-2-7/h7-8,18H,1-6H2,(H,14,16,19)
InChIKeyOXHWWOKWDYVUBP-UHFFFAOYSA-N
XLogP0.44
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 50.44
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-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide (CID 107485670) is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide is O=C(CN(CCO)CC(F)F)Nc1nnc(C2CC2)o1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The InChIKey is OXHWWOKWDYVUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O3/c12-8(13)5-17(3-4-18)6-9(19)14-11-16-15-10(20-11)7-1-2-7/h7-8,18H,1-6H2,(H,14,16,19).
What are the key properties of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide has a molecular weight of 290.27 g/mol, XLogP of 0.44, 8 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-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide is sourced from PubChem (CID 107485670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).