3-pyrazin-2-yl-7-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-1,2-benzoxazole

C17H10F3N5O2 — CID 71544319

IUPAC3-pyrazin-2-yl-7-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-1,2-benzoxazole
SMILESFC(F)(F)COc1ncncc1-c1cccc2c(-c3cnccn3)noc12
InChIInChI=1S/C17H10F3N5O2/c18-17(19,20)8-26-16-12(6-22-9-24-16)10-2-1-3-11-14(25-27-15(10)11)13-7-21-4-5-23-13/h1-7,9H,8H2
InChIKeyKECLLAMWOPXTIM-UHFFFAOYSA-N
MW373.29 g/mol
LogP3.68
Rot. Bonds4

About 3-pyrazin-2-yl-7-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-1,2-benzoxazole

3-pyrazin-2-yl-7-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-1,2-benzoxazole (PubChem CID 71544319) has the molecular formula C17H10F3N5O2 and a molecular weight of 373.29 g/mol. Its IUPAC name is 3-pyrazin-2-yl-7-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name3-pyrazin-2-yl-7-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-1,2-benzoxazole
PubChem CID71544319
Molecular FormulaC17H10F3N5O2
Molecular Weight373.29 g/mol
Exact Mass373.08
IUPAC Name3-pyrazin-2-yl-7-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-1,2-benzoxazole
SMILESFC(F)(F)COc1ncncc1-c1cccc2c(-c3cnccn3)noc12
InChIInChI=1S/C17H10F3N5O2/c18-17(19,20)8-26-16-12(6-22-9-24-16)10-2-1-3-11-14(25-27-15(10)11)13-7-21-4-5-23-13/h1-7,9H,8H2
InChIKeyKECLLAMWOPXTIM-UHFFFAOYSA-N
XLogP3.68
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-7-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-1,2-benzoxazole?
The IUPAC name of 3-pyrazin-2-yl-7-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-1,2-benzoxazole (CID 71544319) is 3-pyrazin-2-yl-7-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-1,2-benzoxazole.
What is the SMILES notation for 3-pyrazin-2-yl-7-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-1,2-benzoxazole?
The canonical SMILES for 3-pyrazin-2-yl-7-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-1,2-benzoxazole is FC(F)(F)COc1ncncc1-c1cccc2c(-c3cnccn3)noc12.
What is the InChIKey of 3-pyrazin-2-yl-7-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-1,2-benzoxazole?
The InChIKey is KECLLAMWOPXTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N5O2/c18-17(19,20)8-26-16-12(6-22-9-24-16)10-2-1-3-11-14(25-27-15(10)11)13-7-21-4-5-23-13/h1-7,9H,8H2.
What are the key properties of 3-pyrazin-2-yl-7-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-1,2-benzoxazole?
3-pyrazin-2-yl-7-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-1,2-benzoxazole has a molecular weight of 373.29 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-7-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-1,2-benzoxazole is sourced from PubChem (CID 71544319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).