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

C13H12F3N3O2 — CID 122153243

IUPAC2,5-dimethyl-N-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccncc2C(F)(F)F)c(C)o1
InChIInChI=1S/C13H12F3N3O2/c1-7-11(19-8(2)21-7)12(20)18-5-9-3-4-17-6-10(9)13(14,15)16/h3-4,6H,5H2,1-2H3,(H,18,20)
InChIKeyUKHNLMUNSULJES-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.64
Rot. Bonds3

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

2,5-dimethyl-N-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 122153243) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID122153243
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name2,5-dimethyl-N-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccncc2C(F)(F)F)c(C)o1
InChIInChI=1S/C13H12F3N3O2/c1-7-11(19-8(2)21-7)12(20)18-5-9-3-4-17-6-10(9)13(14,15)16/h3-4,6H,5H2,1-2H3,(H,18,20)
InChIKeyUKHNLMUNSULJES-UHFFFAOYSA-N
XLogP2.64
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazole-4-carboxamide (CID 122153243) is 2,5-dimethyl-N-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NCc2ccncc2C(F)(F)F)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is UKHNLMUNSULJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-7-11(19-8(2)21-7)12(20)18-5-9-3-4-17-6-10(9)13(14,15)16/h3-4,6H,5H2,1-2H3,(H,18,20).
What are the key properties of 2,5-dimethyl-N-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazole-4-carboxamide?
2,5-dimethyl-N-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 299.25 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 122153243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).