4,4,4-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide

C10H13F3N4O2 — CID 102703280

IUPAC4,4,4-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide
SMILESO=C(CCC(F)(F)F)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C10H13F3N4O2/c11-10(12,13)4-3-7(18)15-9-17-16-8(19-9)6-2-1-5-14-6/h6,14H,1-5H2,(H,15,17,18)
InChIKeyDNJQFGVIICHMGY-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.78
Rot. Bonds4

About 4,4,4-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide

4,4,4-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide (PubChem CID 102703280) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide
PubChem CID102703280
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC Name4,4,4-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide
SMILESO=C(CCC(F)(F)F)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C10H13F3N4O2/c11-10(12,13)4-3-7(18)15-9-17-16-8(19-9)6-2-1-5-14-6/h6,14H,1-5H2,(H,15,17,18)
InChIKeyDNJQFGVIICHMGY-UHFFFAOYSA-N
XLogP1.78
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide (CID 102703280) is 4,4,4-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide is O=C(CCC(F)(F)F)Nc1nnc(C2CCCN2)o1.
What is the InChIKey of 4,4,4-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide?
The InChIKey is DNJQFGVIICHMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c11-10(12,13)4-3-7(18)15-9-17-16-8(19-9)6-2-1-5-14-6/h6,14H,1-5H2,(H,15,17,18).
What are the key properties of 4,4,4-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide?
4,4,4-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide has a molecular weight of 278.23 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide is sourced from PubChem (CID 102703280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).