7-pyrimidin-5-yl-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole

C13H8F3N3O2 — CID 89480540

IUPAC7-pyrimidin-5-yl-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole
SMILESFC(F)(F)COc1noc2c(-c3cncnc3)cccc12
InChIInChI=1S/C13H8F3N3O2/c14-13(15,16)6-20-12-10-3-1-2-9(11(10)21-19-12)8-4-17-7-18-5-8/h1-5,7H,6H2
InChIKeyCFOFHRAGHIPYHT-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.23
Rot. Bonds3

About 7-pyrimidin-5-yl-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole

7-pyrimidin-5-yl-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole (PubChem CID 89480540) has the molecular formula C13H8F3N3O2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 7-pyrimidin-5-yl-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole.

Molecular Properties

Compound Name7-pyrimidin-5-yl-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole
PubChem CID89480540
Molecular FormulaC13H8F3N3O2
Molecular Weight295.22 g/mol
Exact Mass295.06
IUPAC Name7-pyrimidin-5-yl-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole
SMILESFC(F)(F)COc1noc2c(-c3cncnc3)cccc12
InChIInChI=1S/C13H8F3N3O2/c14-13(15,16)6-20-12-10-3-1-2-9(11(10)21-19-12)8-4-17-7-18-5-8/h1-5,7H,6H2
InChIKeyCFOFHRAGHIPYHT-UHFFFAOYSA-N
XLogP3.23
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-pyrimidin-5-yl-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole?
The IUPAC name of 7-pyrimidin-5-yl-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole (CID 89480540) is 7-pyrimidin-5-yl-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole.
What is the SMILES notation for 7-pyrimidin-5-yl-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole?
The canonical SMILES for 7-pyrimidin-5-yl-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole is FC(F)(F)COc1noc2c(-c3cncnc3)cccc12.
What is the InChIKey of 7-pyrimidin-5-yl-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole?
The InChIKey is CFOFHRAGHIPYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O2/c14-13(15,16)6-20-12-10-3-1-2-9(11(10)21-19-12)8-4-17-7-18-5-8/h1-5,7H,6H2.
What are the key properties of 7-pyrimidin-5-yl-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole?
7-pyrimidin-5-yl-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole has a molecular weight of 295.22 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrimidin-5-yl-3-(2,2,2-trifluoroethoxy)-1,2-benzoxazole is sourced from PubChem (CID 89480540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).