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

C18H15F3N4O3 — CID 24793439

IUPACN-methyl-N-(pyrazin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCN(Cc1cnccn1)C(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1
InChIInChI=1S/C18H15F3N4O3/c1-25(10-13-9-22-5-6-23-13)17(26)16-8-15(28-24-16)11-27-14-4-2-3-12(7-14)18(19,20)21/h2-9H,10-11H2,1H3
InChIKeySBHNQCKHOZEUHR-UHFFFAOYSA-N
MW392.34 g/mol
LogP3.33
Rot. Bonds6

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

N-methyl-N-(pyrazin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24793439) has the molecular formula C18H15F3N4O3 and a molecular weight of 392.34 g/mol. Its IUPAC name is N-methyl-N-(pyrazin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(pyrazin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
PubChem CID24793439
Molecular FormulaC18H15F3N4O3
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC NameN-methyl-N-(pyrazin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCN(Cc1cnccn1)C(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1
InChIInChI=1S/C18H15F3N4O3/c1-25(10-13-9-22-5-6-23-13)17(26)16-8-15(28-24-16)11-27-14-4-2-3-12(7-14)18(19,20)21/h2-9H,10-11H2,1H3
InChIKeySBHNQCKHOZEUHR-UHFFFAOYSA-N
XLogP3.33
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyrazin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-N-(pyrazin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide (CID 24793439) is N-methyl-N-(pyrazin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-(pyrazin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-N-(pyrazin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide is CN(Cc1cnccn1)C(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1.
What is the InChIKey of N-methyl-N-(pyrazin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is SBHNQCKHOZEUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3/c1-25(10-13-9-22-5-6-23-13)17(26)16-8-15(28-24-16)11-27-14-4-2-3-12(7-14)18(19,20)21/h2-9H,10-11H2,1H3.
What are the key properties of N-methyl-N-(pyrazin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
N-methyl-N-(pyrazin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 392.34 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyrazin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24793439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).