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

C9H11F3N2O — CID 105475175

IUPAC4-(azetidin-3-ylmethyl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole
SMILESCc1oc(C(F)(F)F)nc1CC1CNC1
InChIInChI=1S/C9H11F3N2O/c1-5-7(2-6-3-13-4-6)14-8(15-5)9(10,11)12/h6,13H,2-4H2,1H3
InChIKeyIIKFPQWYGLJNCD-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.76
Rot. Bonds2

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

4-(azetidin-3-ylmethyl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole (PubChem CID 105475175) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 4-(azetidin-3-ylmethyl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(azetidin-3-ylmethyl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole
PubChem CID105475175
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name4-(azetidin-3-ylmethyl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole
SMILESCc1oc(C(F)(F)F)nc1CC1CNC1
InChIInChI=1S/C9H11F3N2O/c1-5-7(2-6-3-13-4-6)14-8(15-5)9(10,11)12/h6,13H,2-4H2,1H3
InChIKeyIIKFPQWYGLJNCD-UHFFFAOYSA-N
XLogP1.76
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylmethyl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 4-(azetidin-3-ylmethyl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole (CID 105475175) is 4-(azetidin-3-ylmethyl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-(azetidin-3-ylmethyl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-(azetidin-3-ylmethyl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole is Cc1oc(C(F)(F)F)nc1CC1CNC1.
What is the InChIKey of 4-(azetidin-3-ylmethyl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole?
The InChIKey is IIKFPQWYGLJNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-5-7(2-6-3-13-4-6)14-8(15-5)9(10,11)12/h6,13H,2-4H2,1H3.
What are the key properties of 4-(azetidin-3-ylmethyl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole?
4-(azetidin-3-ylmethyl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole has a molecular weight of 220.19 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylmethyl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 105475175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).