5-tert-butyl-2-[1-ethyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole

C17H18F3N3O — CID 71161219

IUPAC5-tert-butyl-2-[1-ethyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole
SMILESCCn1c(C(F)(F)F)nc2cc(-c3ncc(C(C)(C)C)o3)ccc21
InChIInChI=1S/C17H18F3N3O/c1-5-23-12-7-6-10(8-11(12)22-15(23)17(18,19)20)14-21-9-13(24-14)16(2,3)4/h6-9H,5H2,1-4H3
InChIKeyOKWNAEQUTJDQGD-UHFFFAOYSA-N
MW337.35 g/mol
LogP5.03
Rot. Bonds2

About 5-tert-butyl-2-[1-ethyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole

5-tert-butyl-2-[1-ethyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole (PubChem CID 71161219) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 5-tert-butyl-2-[1-ethyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[1-ethyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole
PubChem CID71161219
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name5-tert-butyl-2-[1-ethyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole
SMILESCCn1c(C(F)(F)F)nc2cc(-c3ncc(C(C)(C)C)o3)ccc21
InChIInChI=1S/C17H18F3N3O/c1-5-23-12-7-6-10(8-11(12)22-15(23)17(18,19)20)14-21-9-13(24-14)16(2,3)4/h6-9H,5H2,1-4H3
InChIKeyOKWNAEQUTJDQGD-UHFFFAOYSA-N
XLogP5.03
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.35
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[1-ethyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[1-ethyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole (CID 71161219) is 5-tert-butyl-2-[1-ethyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[1-ethyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[1-ethyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole is CCn1c(C(F)(F)F)nc2cc(-c3ncc(C(C)(C)C)o3)ccc21.
What is the InChIKey of 5-tert-butyl-2-[1-ethyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole?
The InChIKey is OKWNAEQUTJDQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-5-23-12-7-6-10(8-11(12)22-15(23)17(18,19)20)14-21-9-13(24-14)16(2,3)4/h6-9H,5H2,1-4H3.
What are the key properties of 5-tert-butyl-2-[1-ethyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole?
5-tert-butyl-2-[1-ethyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole has a molecular weight of 337.35 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[1-ethyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole is sourced from PubChem (CID 71161219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).