N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3,3-trifluoropropanamide

C10H12F3N3O2 — CID 91917590

IUPACN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NCCc1noc(C2CC2)n1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)5-8(17)14-4-3-7-15-9(18-16-7)6-1-2-6/h6H,1-5H2,(H,14,17)
InChIKeySVFMFOFDNUIWPV-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.56
Rot. Bonds5

About N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3,3-trifluoropropanamide

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3,3-trifluoropropanamide (PubChem CID 91917590) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3,3-trifluoropropanamide
PubChem CID91917590
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NCCc1noc(C2CC2)n1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)5-8(17)14-4-3-7-15-9(18-16-7)6-1-2-6/h6H,1-5H2,(H,14,17)
InChIKeySVFMFOFDNUIWPV-UHFFFAOYSA-N
XLogP1.56
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3,3-trifluoropropanamide (CID 91917590) is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)NCCc1noc(C2CC2)n1.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3,3-trifluoropropanamide?
The InChIKey is SVFMFOFDNUIWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)5-8(17)14-4-3-7-15-9(18-16-7)6-1-2-6/h6H,1-5H2,(H,14,17).
What are the key properties of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3,3-trifluoropropanamide?
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3,3-trifluoropropanamide has a molecular weight of 263.22 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 91917590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).