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

C14H12F3N3O2 — CID 74239454

IUPAC5-cyclopropyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NC(c1cccnc1)C(F)(F)F)c1ncoc1C1CC1
InChIInChI=1S/C14H12F3N3O2/c15-14(16,17)12(9-2-1-5-18-6-9)20-13(21)10-11(8-3-4-8)22-7-19-10/h1-2,5-8,12H,3-4H2,(H,20,21)
InChIKeyLJGSPSJRHKLQJS-UHFFFAOYSA-N
MW311.26 g/mol
LogP2.98
Rot. Bonds4

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

5-cyclopropyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 74239454) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1,3-oxazole-4-carboxamide
PubChem CID74239454
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC Name5-cyclopropyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NC(c1cccnc1)C(F)(F)F)c1ncoc1C1CC1
InChIInChI=1S/C14H12F3N3O2/c15-14(16,17)12(9-2-1-5-18-6-9)20-13(21)10-11(8-3-4-8)22-7-19-10/h1-2,5-8,12H,3-4H2,(H,20,21)
InChIKeyLJGSPSJRHKLQJS-UHFFFAOYSA-N
XLogP2.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1,3-oxazole-4-carboxamide (CID 74239454) is 5-cyclopropyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1,3-oxazole-4-carboxamide is O=C(NC(c1cccnc1)C(F)(F)F)c1ncoc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is LJGSPSJRHKLQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2/c15-14(16,17)12(9-2-1-5-18-6-9)20-13(21)10-11(8-3-4-8)22-7-19-10/h1-2,5-8,12H,3-4H2,(H,20,21).
What are the key properties of 5-cyclopropyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 311.26 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 74239454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).