N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2,2-trifluoroacetamide

C7H6F3N3O2 — CID 64591129

IUPACN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nnc(C2CC2)o1)C(F)(F)F
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)5(14)11-6-13-12-4(15-6)3-1-2-3/h3H,1-2H2,(H,11,13,14)
InChIKeyROZWAXPQCGUWCA-UHFFFAOYSA-N
MW221.14 g/mol
LogP1.45
Rot. Bonds2

About N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2,2-trifluoroacetamide

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 64591129) has the molecular formula C7H6F3N3O2 and a molecular weight of 221.14 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2,2-trifluoroacetamide
PubChem CID64591129
Molecular FormulaC7H6F3N3O2
Molecular Weight221.14 g/mol
Exact Mass221.04
IUPAC NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nnc(C2CC2)o1)C(F)(F)F
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)5(14)11-6-13-12-4(15-6)3-1-2-3/h3H,1-2H2,(H,11,13,14)
InChIKeyROZWAXPQCGUWCA-UHFFFAOYSA-N
XLogP1.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-trifluoroacetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2,2-trifluoroacetamide (CID 64591129) is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2,2-trifluoroacetamide is O=C(Nc1nnc(C2CC2)o1)C(F)(F)F.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is ROZWAXPQCGUWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2/c8-7(9,10)5(14)11-6-13-12-4(15-6)3-1-2-3/h3H,1-2H2,(H,11,13,14).
What are the key properties of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2,2-trifluoroacetamide?
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 221.14 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 64591129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).