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

C11H15F3N4O3 — CID 103209772

IUPACN-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C11H15F3N4O3/c12-11(13,14)6-20-5-3-8(19)16-10-18-17-9(21-10)7-2-1-4-15-7/h7,15H,1-6H2,(H,16,18,19)
InChIKeyYVOCXRJWUYLFQE-UHFFFAOYSA-N
MW308.26 g/mol
LogP1.40
Rot. Bonds6

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

N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103209772) has the molecular formula C11H15F3N4O3 and a molecular weight of 308.26 g/mol. Its IUPAC name is N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103209772
Molecular FormulaC11H15F3N4O3
Molecular Weight308.26 g/mol
Exact Mass308.11
IUPAC NameN-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C11H15F3N4O3/c12-11(13,14)6-20-5-3-8(19)16-10-18-17-9(21-10)7-2-1-4-15-7/h7,15H,1-6H2,(H,16,18,19)
InChIKeyYVOCXRJWUYLFQE-UHFFFAOYSA-N
XLogP1.40
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 51.40
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 N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 103209772) is N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)Nc1nnc(C2CCCN2)o1.
What is the InChIKey of N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is YVOCXRJWUYLFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O3/c12-11(13,14)6-20-5-3-8(19)16-10-18-17-9(21-10)7-2-1-4-15-7/h7,15H,1-6H2,(H,16,18,19).
What are the key properties of N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 308.26 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103209772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).