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

C14H14F3N3O3 — CID 71851017

IUPAC2,4-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCOc2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C14H14F3N3O3/c1-8-12(23-9(2)20-8)13(21)18-5-6-22-11-4-3-10(7-19-11)14(15,16)17/h3-4,7H,5-6H2,1-2H3,(H,18,21)
InChIKeyLESOSPMEHKAVTQ-UHFFFAOYSA-N
MW329.28 g/mol
LogP2.51
Rot. Bonds5

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

2,4-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-oxazole-5-carboxamide (PubChem CID 71851017) has the molecular formula C14H14F3N3O3 and a molecular weight of 329.28 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-oxazole-5-carboxamide
PubChem CID71851017
Molecular FormulaC14H14F3N3O3
Molecular Weight329.28 g/mol
Exact Mass329.10
IUPAC Name2,4-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCOc2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C14H14F3N3O3/c1-8-12(23-9(2)20-8)13(21)18-5-6-22-11-4-3-10(7-19-11)14(15,16)17/h3-4,7H,5-6H2,1-2H3,(H,18,21)
InChIKeyLESOSPMEHKAVTQ-UHFFFAOYSA-N
XLogP2.51
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]furan-3-carboxamide
CID 71969635
2-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]benzamide
CID 129392878
N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridine-2-carboxamide
CID 71918358
2-methyl-6-(propanoylamino)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridine-4-carboxamide
CID 142503774
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729
3-cyano-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]thiophene-2-carboxamide
CID 71969634
1,2-dimethyl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]guanidine;hydroiodide
CID 86779149
N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 154762971
N-[3-(2-hydroxyethoxy)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113365344
methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate
CID 79026371
N-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79880788
7-hydroxy-2-thiophen-2-yl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1H-benzimidazole-4-carboxamide
CID 44628456

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-oxazole-5-carboxamide (CID 71851017) is 2,4-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NCCOc2ccc(C(F)(F)F)cn2)o1.
What is the InChIKey of 2,4-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-oxazole-5-carboxamide?
The InChIKey is LESOSPMEHKAVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3/c1-8-12(23-9(2)20-8)13(21)18-5-6-22-11-4-3-10(7-19-11)14(15,16)17/h3-4,7H,5-6H2,1-2H3,(H,18,21).
What are the key properties of 2,4-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-oxazole-5-carboxamide has a molecular weight of 329.28 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 71851017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).