5-methyl-N-pyridin-2-yl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide

C18H14F3N3O3 — CID 17026183

IUPAC5-methyl-N-pyridin-2-yl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccccn2)c1COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O3/c1-11-14(10-26-13-6-4-5-12(9-13)18(19,20)21)16(24-27-11)17(25)23-15-7-2-3-8-22-15/h2-9H,10H2,1H3,(H,22,23,25)
InChIKeyFLDLGDXAQSQIOI-UHFFFAOYSA-N
MW377.32 g/mol
LogP4.23
Rot. Bonds5

About 5-methyl-N-pyridin-2-yl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide

5-methyl-N-pyridin-2-yl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 17026183) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is 5-methyl-N-pyridin-2-yl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-pyridin-2-yl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
PubChem CID17026183
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name5-methyl-N-pyridin-2-yl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccccn2)c1COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O3/c1-11-14(10-26-13-6-4-5-12(9-13)18(19,20)21)16(24-27-11)17(25)23-15-7-2-3-8-22-15/h2-9H,10H2,1H3,(H,22,23,25)
InChIKeyFLDLGDXAQSQIOI-UHFFFAOYSA-N
XLogP4.23
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pyridin-2-yl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-pyridin-2-yl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide (CID 17026183) is 5-methyl-N-pyridin-2-yl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-pyridin-2-yl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-pyridin-2-yl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2ccccn2)c1COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methyl-N-pyridin-2-yl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is FLDLGDXAQSQIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-11-14(10-26-13-6-4-5-12(9-13)18(19,20)21)16(24-27-11)17(25)23-15-7-2-3-8-22-15/h2-9H,10H2,1H3,(H,22,23,25).
What are the key properties of 5-methyl-N-pyridin-2-yl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-pyridin-2-yl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 377.32 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-pyridin-2-yl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17026183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).