2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole

C15H8F3N3O — CID 66850021

IUPAC2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole
SMILESFC(F)(F)c1ncc2ccc(-c3nc4ccccc4o3)cn12
InChIInChI=1S/C15H8F3N3O/c16-15(17,18)14-19-7-10-6-5-9(8-21(10)14)13-20-11-3-1-2-4-12(11)22-13/h1-8H
InChIKeyMDRGNEYIEZTERO-UHFFFAOYSA-N
MW303.24 g/mol
LogP4.16
Rot. Bonds1

About 2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole

2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole (PubChem CID 66850021) has the molecular formula C15H8F3N3O and a molecular weight of 303.24 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole
PubChem CID66850021
Molecular FormulaC15H8F3N3O
Molecular Weight303.24 g/mol
Exact Mass303.06
IUPAC Name2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole
SMILESFC(F)(F)c1ncc2ccc(-c3nc4ccccc4o3)cn12
InChIInChI=1S/C15H8F3N3O/c16-15(17,18)14-19-7-10-6-5-9(8-21(10)14)13-20-11-3-1-2-4-12(11)22-13/h1-8H
InChIKeyMDRGNEYIEZTERO-UHFFFAOYSA-N
XLogP4.16
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole?
The IUPAC name of 2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole (CID 66850021) is 2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole is FC(F)(F)c1ncc2ccc(-c3nc4ccccc4o3)cn12.
What is the InChIKey of 2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole?
The InChIKey is MDRGNEYIEZTERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3O/c16-15(17,18)14-19-7-10-6-5-9(8-21(10)14)13-20-11-3-1-2-4-12(11)22-13/h1-8H.
What are the key properties of 2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole?
2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole has a molecular weight of 303.24 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole is sourced from PubChem (CID 66850021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).