5-ethyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide

C13H12F3N3O2 — CID 74235019

IUPAC5-ethyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)NC(c1ccccn1)C(F)(F)F
InChIInChI=1S/C13H12F3N3O2/c1-2-9-10(18-7-21-9)12(20)19-11(13(14,15)16)8-5-3-4-6-17-8/h3-7,11H,2H2,1H3,(H,19,20)
InChIKeyOTULZEFZMHXZPK-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.67
Rot. Bonds4

About 5-ethyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide

5-ethyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 74235019) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 5-ethyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
PubChem CID74235019
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name5-ethyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)NC(c1ccccn1)C(F)(F)F
InChIInChI=1S/C13H12F3N3O2/c1-2-9-10(18-7-21-9)12(20)19-11(13(14,15)16)8-5-3-4-6-17-8/h3-7,11H,2H2,1H3,(H,19,20)
InChIKeyOTULZEFZMHXZPK-UHFFFAOYSA-N
XLogP2.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide (CID 74235019) is 5-ethyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide is CCc1ocnc1C(=O)NC(c1ccccn1)C(F)(F)F.
What is the InChIKey of 5-ethyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is OTULZEFZMHXZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-2-9-10(18-7-21-9)12(20)19-11(13(14,15)16)8-5-3-4-6-17-8/h3-7,11H,2H2,1H3,(H,19,20).
What are the key properties of 5-ethyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
5-ethyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 299.25 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 74235019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).