4,5-dimethyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole

C11H9F3N2O — CID 102525607

IUPAC4,5-dimethyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole
SMILESCc1nc(-c2ccc(C(F)(F)F)nc2)oc1C
InChIInChI=1S/C11H9F3N2O/c1-6-7(2)17-10(16-6)8-3-4-9(15-5-8)11(12,13)14/h3-5H,1-2H3
InChIKeyKHRDNONDQGGQLH-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.37
Rot. Bonds1

About 4,5-dimethyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole

4,5-dimethyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole (PubChem CID 102525607) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 4,5-dimethyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole
PubChem CID102525607
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name4,5-dimethyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole
SMILESCc1nc(-c2ccc(C(F)(F)F)nc2)oc1C
InChIInChI=1S/C11H9F3N2O/c1-6-7(2)17-10(16-6)8-3-4-9(15-5-8)11(12,13)14/h3-5H,1-2H3
InChIKeyKHRDNONDQGGQLH-UHFFFAOYSA-N
XLogP3.37
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole (CID 102525607) is 4,5-dimethyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole is Cc1nc(-c2ccc(C(F)(F)F)nc2)oc1C.
What is the InChIKey of 4,5-dimethyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole?
The InChIKey is KHRDNONDQGGQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-6-7(2)17-10(16-6)8-3-4-9(15-5-8)11(12,13)14/h3-5H,1-2H3.
What are the key properties of 4,5-dimethyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole?
4,5-dimethyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole has a molecular weight of 242.20 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 102525607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).