5-[4-ethoxy-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole

C18H15F3N2O2 — CID 11791988

IUPAC5-[4-ethoxy-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole
SMILESCCOc1cc(C(F)(F)F)nc(-c2ccccc2)c1-c1cc(C)no1
InChIInChI=1S/C18H15F3N2O2/c1-3-24-13-10-15(18(19,20)21)22-17(12-7-5-4-6-8-12)16(13)14-9-11(2)23-25-14/h4-10H,3H2,1-2H3
InChIKeyNGSOUGMRNZLLCO-UHFFFAOYSA-N
MW348.32 g/mol
LogP5.13
Rot. Bonds4

About 5-[4-ethoxy-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole

5-[4-ethoxy-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole (PubChem CID 11791988) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is 5-[4-ethoxy-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[4-ethoxy-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole
PubChem CID11791988
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name5-[4-ethoxy-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole
SMILESCCOc1cc(C(F)(F)F)nc(-c2ccccc2)c1-c1cc(C)no1
InChIInChI=1S/C18H15F3N2O2/c1-3-24-13-10-15(18(19,20)21)22-17(12-7-5-4-6-8-12)16(13)14-9-11(2)23-25-14/h4-10H,3H2,1-2H3
InChIKeyNGSOUGMRNZLLCO-UHFFFAOYSA-N
XLogP5.13
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.32
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-ethoxy-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[4-ethoxy-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole (CID 11791988) is 5-[4-ethoxy-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[4-ethoxy-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[4-ethoxy-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole is CCOc1cc(C(F)(F)F)nc(-c2ccccc2)c1-c1cc(C)no1.
What is the InChIKey of 5-[4-ethoxy-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole?
The InChIKey is NGSOUGMRNZLLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-3-24-13-10-15(18(19,20)21)22-17(12-7-5-4-6-8-12)16(13)14-9-11(2)23-25-14/h4-10H,3H2,1-2H3.
What are the key properties of 5-[4-ethoxy-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole?
5-[4-ethoxy-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole has a molecular weight of 348.32 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-ethoxy-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 11791988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).