5-(3-methyl-1,2-oxazol-5-yl)-3-[1-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazole

C11H10F3N3O2 — CID 138051664

IUPAC5-(3-methyl-1,2-oxazol-5-yl)-3-[1-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(C3(C(F)(F)F)CCC3)no2)on1
InChIInChI=1S/C11H10F3N3O2/c1-6-5-7(18-16-6)8-15-9(17-19-8)10(3-2-4-10)11(12,13)14/h5H,2-4H2,1H3
InChIKeyQZDGLOPDOYNQNU-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.02
Rot. Bonds2

About 5-(3-methyl-1,2-oxazol-5-yl)-3-[1-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazole

5-(3-methyl-1,2-oxazol-5-yl)-3-[1-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazole (PubChem CID 138051664) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 5-(3-methyl-1,2-oxazol-5-yl)-3-[1-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methyl-1,2-oxazol-5-yl)-3-[1-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazole
PubChem CID138051664
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name5-(3-methyl-1,2-oxazol-5-yl)-3-[1-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(C3(C(F)(F)F)CCC3)no2)on1
InChIInChI=1S/C11H10F3N3O2/c1-6-5-7(18-16-6)8-15-9(17-19-8)10(3-2-4-10)11(12,13)14/h5H,2-4H2,1H3
InChIKeyQZDGLOPDOYNQNU-UHFFFAOYSA-N
XLogP3.02
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2-oxazol-5-yl)-3-[1-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methyl-1,2-oxazol-5-yl)-3-[1-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazole (CID 138051664) is 5-(3-methyl-1,2-oxazol-5-yl)-3-[1-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methyl-1,2-oxazol-5-yl)-3-[1-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methyl-1,2-oxazol-5-yl)-3-[1-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazole is Cc1cc(-c2nc(C3(C(F)(F)F)CCC3)no2)on1.
What is the InChIKey of 5-(3-methyl-1,2-oxazol-5-yl)-3-[1-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazole?
The InChIKey is QZDGLOPDOYNQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c1-6-5-7(18-16-6)8-15-9(17-19-8)10(3-2-4-10)11(12,13)14/h5H,2-4H2,1H3.
What are the key properties of 5-(3-methyl-1,2-oxazol-5-yl)-3-[1-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazole?
5-(3-methyl-1,2-oxazol-5-yl)-3-[1-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazole has a molecular weight of 273.21 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2-oxazol-5-yl)-3-[1-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazole is sourced from PubChem (CID 138051664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).