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

C21H20F3N3O3 — CID 24818907

IUPACN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(COc3cccc(C(F)(F)F)c3)on2)nc1
InChIInChI=1S/C21H20F3N3O3/c1-3-14-7-8-16(25-11-14)12-27(2)20(28)19-10-18(30-26-19)13-29-17-6-4-5-15(9-17)21(22,23)24/h4-11H,3,12-13H2,1-2H3
InChIKeyZBFOFLRDLIZQNH-UHFFFAOYSA-N
MW419.40 g/mol
LogP4.50
Rot. Bonds7

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

N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24818907) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
PubChem CID24818907
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC NameN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(COc3cccc(C(F)(F)F)c3)on2)nc1
InChIInChI=1S/C21H20F3N3O3/c1-3-14-7-8-16(25-11-14)12-27(2)20(28)19-10-18(30-26-19)13-29-17-6-4-5-15(9-17)21(22,23)24/h4-11H,3,12-13H2,1-2H3
InChIKeyZBFOFLRDLIZQNH-UHFFFAOYSA-N
XLogP4.50
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide (CID 24818907) is N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide is CCc1ccc(CN(C)C(=O)c2cc(COc3cccc(C(F)(F)F)c3)on2)nc1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZBFOFLRDLIZQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c1-3-14-7-8-16(25-11-14)12-27(2)20(28)19-10-18(30-26-19)13-29-17-6-4-5-15(9-17)21(22,23)24/h4-11H,3,12-13H2,1-2H3.
What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 419.40 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24818907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).