2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide

C9H12F3N3O2 — CID 114186229

IUPAC2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCc1ccno1)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H12F3N3O2/c1-6(8(16)14-5-9(10,11)12)13-4-7-2-3-15-17-7/h2-3,6,13H,4-5H2,1H3,(H,14,16)
InChIKeyVVRLFWIIFZITRU-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.83
Rot. Bonds5

About 2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide

2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 114186229) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID114186229
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCc1ccno1)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H12F3N3O2/c1-6(8(16)14-5-9(10,11)12)13-4-7-2-3-15-17-7/h2-3,6,13H,4-5H2,1H3,(H,14,16)
InChIKeyVVRLFWIIFZITRU-UHFFFAOYSA-N
XLogP0.83
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 114186229) is 2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide is CC(NCc1ccno1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is VVRLFWIIFZITRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c1-6(8(16)14-5-9(10,11)12)13-4-7-2-3-15-17-7/h2-3,6,13H,4-5H2,1H3,(H,14,16).
What are the key properties of 2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 251.21 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 114186229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).