3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-2H-1,3-benzoxazole

C12H10F3N3O — CID 138692185

IUPAC3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-2H-1,3-benzoxazole
SMILESCc1cnc(N2COc3ccc(C(F)(F)F)cc32)[nH]1
InChIInChI=1S/C12H10F3N3O/c1-7-5-16-11(17-7)18-6-19-10-3-2-8(4-9(10)18)12(13,14)15/h2-5H,6H2,1H3,(H,16,17)
InChIKeyQKMOWCRVOXDJSI-UHFFFAOYSA-N
MW269.23 g/mol
LogP3.22
Rot. Bonds1

About 3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-2H-1,3-benzoxazole

3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-2H-1,3-benzoxazole (PubChem CID 138692185) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-2H-1,3-benzoxazole.

Molecular Properties

Compound Name3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-2H-1,3-benzoxazole
PubChem CID138692185
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-2H-1,3-benzoxazole
SMILESCc1cnc(N2COc3ccc(C(F)(F)F)cc32)[nH]1
InChIInChI=1S/C12H10F3N3O/c1-7-5-16-11(17-7)18-6-19-10-3-2-8(4-9(10)18)12(13,14)15/h2-5H,6H2,1H3,(H,16,17)
InChIKeyQKMOWCRVOXDJSI-UHFFFAOYSA-N
XLogP3.22
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-2H-1,3-benzoxazole?
The IUPAC name of 3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-2H-1,3-benzoxazole (CID 138692185) is 3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-2H-1,3-benzoxazole.
What is the SMILES notation for 3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-2H-1,3-benzoxazole?
The canonical SMILES for 3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-2H-1,3-benzoxazole is Cc1cnc(N2COc3ccc(C(F)(F)F)cc32)[nH]1.
What is the InChIKey of 3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-2H-1,3-benzoxazole?
The InChIKey is QKMOWCRVOXDJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-7-5-16-11(17-7)18-6-19-10-3-2-8(4-9(10)18)12(13,14)15/h2-5H,6H2,1H3,(H,16,17).
What are the key properties of 3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-2H-1,3-benzoxazole?
3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-2H-1,3-benzoxazole has a molecular weight of 269.23 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-imidazol-2-yl)-5-(trifluoromethyl)-2H-1,3-benzoxazole is sourced from PubChem (CID 138692185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).