2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide

C9H13F3N4O2 — CID 106400503

IUPAC2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCCc1ncon1)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H13F3N4O2/c1-6(8(17)14-4-9(10,11)12)13-3-2-7-15-5-18-16-7/h5-6,13H,2-4H2,1H3,(H,14,17)
InChIKeyPAWQCQXQEYDNGF-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.27
Rot. Bonds6

About 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 106400503) has the molecular formula C9H13F3N4O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID106400503
Molecular FormulaC9H13F3N4O2
Molecular Weight266.22 g/mol
Exact Mass266.10
IUPAC Name2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCCc1ncon1)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H13F3N4O2/c1-6(8(17)14-4-9(10,11)12)13-3-2-7-15-5-18-16-7/h5-6,13H,2-4H2,1H3,(H,14,17)
InChIKeyPAWQCQXQEYDNGF-UHFFFAOYSA-N
XLogP0.27
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 106400503) is 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NCCc1ncon1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is PAWQCQXQEYDNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2/c1-6(8(17)14-4-9(10,11)12)13-3-2-7-15-5-18-16-7/h5-6,13H,2-4H2,1H3,(H,14,17).
What are the key properties of 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 266.22 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 106400503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).