5-[(3-bromo-2-pyridinyl)oxymethyl]-3-(trifluoromethyl)-1,2-oxazole

C10H6BrF3N2O2 — CID 134958974

IUPAC5-[(3-bromo-2-pyridinyl)oxymethyl]-3-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(COc2ncccc2Br)on1
InChIInChI=1S/C10H6BrF3N2O2/c11-7-2-1-3-15-9(7)17-5-6-4-8(16-18-6)10(12,13)14/h1-4H,5H2
InChIKeyVYJWSWHJNLLWFU-UHFFFAOYSA-N
MW323.07 g/mol
LogP3.43
Rot. Bonds3

About 5-[(3-bromo-2-pyridinyl)oxymethyl]-3-(trifluoromethyl)-1,2-oxazole

5-[(3-bromo-2-pyridinyl)oxymethyl]-3-(trifluoromethyl)-1,2-oxazole (PubChem CID 134958974) has the molecular formula C10H6BrF3N2O2 and a molecular weight of 323.07 g/mol. Its IUPAC name is 5-[(3-bromo-2-pyridinyl)oxymethyl]-3-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[(3-bromo-2-pyridinyl)oxymethyl]-3-(trifluoromethyl)-1,2-oxazole
PubChem CID134958974
Molecular FormulaC10H6BrF3N2O2
Molecular Weight323.07 g/mol
Exact Mass321.96
IUPAC Name5-[(3-bromo-2-pyridinyl)oxymethyl]-3-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(COc2ncccc2Br)on1
InChIInChI=1S/C10H6BrF3N2O2/c11-7-2-1-3-15-9(7)17-5-6-4-8(16-18-6)10(12,13)14/h1-4H,5H2
InChIKeyVYJWSWHJNLLWFU-UHFFFAOYSA-N
XLogP3.43
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.07
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-2-pyridinyl)oxymethyl]-3-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 5-[(3-bromo-2-pyridinyl)oxymethyl]-3-(trifluoromethyl)-1,2-oxazole (CID 134958974) is 5-[(3-bromo-2-pyridinyl)oxymethyl]-3-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 5-[(3-bromo-2-pyridinyl)oxymethyl]-3-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 5-[(3-bromo-2-pyridinyl)oxymethyl]-3-(trifluoromethyl)-1,2-oxazole is FC(F)(F)c1cc(COc2ncccc2Br)on1.
What is the InChIKey of 5-[(3-bromo-2-pyridinyl)oxymethyl]-3-(trifluoromethyl)-1,2-oxazole?
The InChIKey is VYJWSWHJNLLWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2O2/c11-7-2-1-3-15-9(7)17-5-6-4-8(16-18-6)10(12,13)14/h1-4H,5H2.
What are the key properties of 5-[(3-bromo-2-pyridinyl)oxymethyl]-3-(trifluoromethyl)-1,2-oxazole?
5-[(3-bromo-2-pyridinyl)oxymethyl]-3-(trifluoromethyl)-1,2-oxazole has a molecular weight of 323.07 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-2-pyridinyl)oxymethyl]-3-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 134958974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).