[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

C19H15F3N2O4 — CID 38349114

IUPAC[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOc1ccccc1-c1cc(COC(=O)c2ccc(C(F)(F)F)nc2C)on1
InChIInChI=1S/C19H15F3N2O4/c1-11-13(7-8-17(23-11)19(20,21)22)18(25)27-10-12-9-15(24-28-12)14-5-3-4-6-16(14)26-2/h3-9H,10H2,1-2H3
InChIKeyMTHUTESTUFDGIF-UHFFFAOYSA-N
MW392.33 g/mol
LogP4.43
Rot. Bonds5

About [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 38349114) has the molecular formula C19H15F3N2O4 and a molecular weight of 392.33 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID38349114
Molecular FormulaC19H15F3N2O4
Molecular Weight392.33 g/mol
Exact Mass392.10
IUPAC Name[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOc1ccccc1-c1cc(COC(=O)c2ccc(C(F)(F)F)nc2C)on1
InChIInChI=1S/C19H15F3N2O4/c1-11-13(7-8-17(23-11)19(20,21)22)18(25)27-10-12-9-15(24-28-12)14-5-3-4-6-16(14)26-2/h3-9H,10H2,1-2H3
InChIKeyMTHUTESTUFDGIF-UHFFFAOYSA-N
XLogP4.43
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate (CID 38349114) is [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate is COc1ccccc1-c1cc(COC(=O)c2ccc(C(F)(F)F)nc2C)on1.
What is the InChIKey of [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is MTHUTESTUFDGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O4/c1-11-13(7-8-17(23-11)19(20,21)22)18(25)27-10-12-9-15(24-28-12)14-5-3-4-6-16(14)26-2/h3-9H,10H2,1-2H3.
What are the key properties of [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 392.33 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 38349114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).