3-(2,2-difluoroethoxy)-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)propanamide

C11H16F2N4O3 — CID 103209771

IUPAC3-(2,2-difluoroethoxy)-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCOCC(F)F)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C11H16F2N4O3/c12-8(13)6-19-5-3-9(18)15-11-17-16-10(20-11)7-2-1-4-14-7/h7-8,14H,1-6H2,(H,15,17,18)
InChIKeyZGVKXEKYIZYLCT-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.10
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)propanamide

3-(2,2-difluoroethoxy)-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 103209771) has the molecular formula C11H16F2N4O3 and a molecular weight of 290.27 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID103209771
Molecular FormulaC11H16F2N4O3
Molecular Weight290.27 g/mol
Exact Mass290.12
IUPAC Name3-(2,2-difluoroethoxy)-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCOCC(F)F)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C11H16F2N4O3/c12-8(13)6-19-5-3-9(18)15-11-17-16-10(20-11)7-2-1-4-14-7/h7-8,14H,1-6H2,(H,15,17,18)
InChIKeyZGVKXEKYIZYLCT-UHFFFAOYSA-N
XLogP1.10
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 103209771) is 3-(2,2-difluoroethoxy)-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)propanamide is O=C(CCOCC(F)F)Nc1nnc(C2CCCN2)o1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is ZGVKXEKYIZYLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O3/c12-8(13)6-19-5-3-9(18)15-11-17-16-10(20-11)7-2-1-4-14-7/h7-8,14H,1-6H2,(H,15,17,18).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
3-(2,2-difluoroethoxy)-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 290.27 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 103209771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).