4-(azetidin-3-yl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole

C8H9F3N2O — CID 105458330

IUPAC4-(azetidin-3-yl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole
SMILESCc1oc(C(F)(F)F)nc1C1CNC1
InChIInChI=1S/C8H9F3N2O/c1-4-6(5-2-12-3-5)13-7(14-4)8(9,10)11/h5,12H,2-3H2,1H3
InChIKeyBISYAXDVKXINGL-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.69
Rot. Bonds1

About 4-(azetidin-3-yl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole

4-(azetidin-3-yl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole (PubChem CID 105458330) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(azetidin-3-yl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole
PubChem CID105458330
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name4-(azetidin-3-yl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole
SMILESCc1oc(C(F)(F)F)nc1C1CNC1
InChIInChI=1S/C8H9F3N2O/c1-4-6(5-2-12-3-5)13-7(14-4)8(9,10)11/h5,12H,2-3H2,1H3
InChIKeyBISYAXDVKXINGL-UHFFFAOYSA-N
XLogP1.69
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 4-(azetidin-3-yl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole (CID 105458330) is 4-(azetidin-3-yl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-(azetidin-3-yl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-(azetidin-3-yl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole is Cc1oc(C(F)(F)F)nc1C1CNC1.
What is the InChIKey of 4-(azetidin-3-yl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole?
The InChIKey is BISYAXDVKXINGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-4-6(5-2-12-3-5)13-7(14-4)8(9,10)11/h5,12H,2-3H2,1H3.
What are the key properties of 4-(azetidin-3-yl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole?
4-(azetidin-3-yl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole has a molecular weight of 206.17 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 105458330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).