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

C8H9F3N2O — CID 105458332

IUPAC2-(azetidin-3-yl)-5-methyl-4-(trifluoromethyl)-1,3-oxazole
SMILESCc1oc(C2CNC2)nc1C(F)(F)F
InChIInChI=1S/C8H9F3N2O/c1-4-6(8(9,10)11)13-7(14-4)5-2-12-3-5/h5,12H,2-3H2,1H3
InChIKeyRFQUEAKUOIOZLG-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.69
Rot. Bonds1

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

2-(azetidin-3-yl)-5-methyl-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 105458332) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-methyl-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-methyl-4-(trifluoromethyl)-1,3-oxazole
PubChem CID105458332
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name2-(azetidin-3-yl)-5-methyl-4-(trifluoromethyl)-1,3-oxazole
SMILESCc1oc(C2CNC2)nc1C(F)(F)F
InChIInChI=1S/C8H9F3N2O/c1-4-6(8(9,10)11)13-7(14-4)5-2-12-3-5/h5,12H,2-3H2,1H3
InChIKeyRFQUEAKUOIOZLG-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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Related Compounds

4-(azetidin-3-yl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole
CID 105458330
4-tert-butyl-5-methyl-2-piperidin-4-yl-1,3-oxazole
CID 105479693
2-(azetidin-3-yl)-5-methyl-4-phenyl-1,3-oxazole
CID 105467712
2-(azetidin-3-yl)-4-methyl-5-propan-2-yl-1,3-oxazole
CID 105438847
5-phenyl-2-piperidin-4-yl-4-(trifluoromethyl)-1,3-oxazole
CID 174567175
5-(azetidin-3-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 79316238
4-ethyl-5-methyl-2-piperidin-3-yl-1,3-oxazole
CID 105448329
3-[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 105492309
2-(azetidin-3-yl)-5-methyl-N-[(2-phenyltriazol-4-yl)methyl]-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 167944945
5-(1,1-difluoroethyl)-4-methyl-2-piperidin-4-yl-1,3-oxazole
CID 84793594
5-methyl-2-piperidin-3-yl-4-pyrrolidin-2-yl-1,3-oxazole
CID 115040989
6,7-dimethyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
CID 10198642

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-methyl-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 2-(azetidin-3-yl)-5-methyl-4-(trifluoromethyl)-1,3-oxazole (CID 105458332) is 2-(azetidin-3-yl)-5-methyl-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 2-(azetidin-3-yl)-5-methyl-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 2-(azetidin-3-yl)-5-methyl-4-(trifluoromethyl)-1,3-oxazole is Cc1oc(C2CNC2)nc1C(F)(F)F.
What is the InChIKey of 2-(azetidin-3-yl)-5-methyl-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is RFQUEAKUOIOZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-4-6(8(9,10)11)13-7(14-4)5-2-12-3-5/h5,12H,2-3H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-5-methyl-4-(trifluoromethyl)-1,3-oxazole?
2-(azetidin-3-yl)-5-methyl-4-(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 2-(azetidin-3-yl)-5-methyl-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 105458332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).