2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole

C15H11F3N2O — CID 66880572

IUPAC2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
SMILESCCc1cnccc1-c1nc2cc(C(F)(F)F)ccc2o1
InChIInChI=1S/C15H11F3N2O/c1-2-9-8-19-6-5-11(9)14-20-12-7-10(15(16,17)18)3-4-13(12)21-14/h3-8H,2H2,1H3
InChIKeyXKAOTXBCCOGKGA-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.47
Rot. Bonds2

About 2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole

2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 66880572) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
PubChem CID66880572
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
SMILESCCc1cnccc1-c1nc2cc(C(F)(F)F)ccc2o1
InChIInChI=1S/C15H11F3N2O/c1-2-9-8-19-6-5-11(9)14-20-12-7-10(15(16,17)18)3-4-13(12)21-14/h3-8H,2H2,1H3
InChIKeyXKAOTXBCCOGKGA-UHFFFAOYSA-N
XLogP4.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole?
The IUPAC name of 2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole (CID 66880572) is 2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole?
The canonical SMILES for 2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole is CCc1cnccc1-c1nc2cc(C(F)(F)F)ccc2o1.
What is the InChIKey of 2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole?
The InChIKey is XKAOTXBCCOGKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c1-2-9-8-19-6-5-11(9)14-20-12-7-10(15(16,17)18)3-4-13(12)21-14/h3-8H,2H2,1H3.
What are the key properties of 2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole?
2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 292.26 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 66880572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).