3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-5-carboxamide

C13H12F3N3O3 — CID 39502122

IUPAC3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCc2ccnc(OCC(F)(F)F)c2)on1
InChIInChI=1S/C13H12F3N3O3/c1-8-4-10(22-19-8)12(20)18-6-9-2-3-17-11(5-9)21-7-13(14,15)16/h2-5H,6-7H2,1H3,(H,18,20)
InChIKeyWSLFWIVYHDVXTA-UHFFFAOYSA-N
MW315.25 g/mol
LogP2.25
Rot. Bonds5

About 3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-5-carboxamide

3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 39502122) has the molecular formula C13H12F3N3O3 and a molecular weight of 315.25 g/mol. Its IUPAC name is 3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID39502122
Molecular FormulaC13H12F3N3O3
Molecular Weight315.25 g/mol
Exact Mass315.08
IUPAC Name3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCc2ccnc(OCC(F)(F)F)c2)on1
InChIInChI=1S/C13H12F3N3O3/c1-8-4-10(22-19-8)12(20)18-6-9-2-3-17-11(5-9)21-7-13(14,15)16/h2-5H,6-7H2,1H3,(H,18,20)
InChIKeyWSLFWIVYHDVXTA-UHFFFAOYSA-N
XLogP2.25
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-5-carboxamide (CID 39502122) is 3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCc2ccnc(OCC(F)(F)F)c2)on1.
What is the InChIKey of 3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is WSLFWIVYHDVXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O3/c1-8-4-10(22-19-8)12(20)18-6-9-2-3-17-11(5-9)21-7-13(14,15)16/h2-5H,6-7H2,1H3,(H,18,20).
What are the key properties of 3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 315.25 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 39502122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).