[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

C19H15F3N2O3 — CID 138465085

IUPAC[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCc1ccc(-c2cc(COC(=O)c3ccc(C(F)(F)F)nc3C)on2)cc1
InChIInChI=1S/C19H15F3N2O3/c1-11-3-5-13(6-4-11)16-9-14(27-24-16)10-26-18(25)15-7-8-17(19(20,21)22)23-12(15)2/h3-9H,10H2,1-2H3
InChIKeyXVFCDUHBDFEHSP-UHFFFAOYSA-N
MW376.33 g/mol
LogP4.73
Rot. Bonds4

About [3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 138465085) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is [3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Name[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID138465085
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCc1ccc(-c2cc(COC(=O)c3ccc(C(F)(F)F)nc3C)on2)cc1
InChIInChI=1S/C19H15F3N2O3/c1-11-3-5-13(6-4-11)16-9-14(27-24-16)10-26-18(25)15-7-8-17(19(20,21)22)23-12(15)2/h3-9H,10H2,1-2H3
InChIKeyXVFCDUHBDFEHSP-UHFFFAOYSA-N
XLogP4.73
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of [3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate (CID 138465085) is [3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for [3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for [3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate is Cc1ccc(-c2cc(COC(=O)c3ccc(C(F)(F)F)nc3C)on2)cc1.
What is the InChIKey of [3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is XVFCDUHBDFEHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c1-11-3-5-13(6-4-11)16-9-14(27-24-16)10-26-18(25)15-7-8-17(19(20,21)22)23-12(15)2/h3-9H,10H2,1-2H3.
What are the key properties of [3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 376.33 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 138465085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).