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

C16H16F3N3O — CID 70826453

IUPAC5-tert-butyl-2-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole
SMILESCn1c(C(F)(F)F)nc2cc(-c3ncc(C(C)(C)C)o3)ccc21
InChIInChI=1S/C16H16F3N3O/c1-15(2,3)12-8-20-13(23-12)9-5-6-11-10(7-9)21-14(22(11)4)16(17,18)19/h5-8H,1-4H3
InChIKeyYTISDLNIEYQHBJ-UHFFFAOYSA-N
MW323.32 g/mol
LogP4.54
Rot. Bonds1

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

5-tert-butyl-2-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole (PubChem CID 70826453) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 5-tert-butyl-2-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole
PubChem CID70826453
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name5-tert-butyl-2-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole
SMILESCn1c(C(F)(F)F)nc2cc(-c3ncc(C(C)(C)C)o3)ccc21
InChIInChI=1S/C16H16F3N3O/c1-15(2,3)12-8-20-13(23-12)9-5-6-11-10(7-9)21-14(22(11)4)16(17,18)19/h5-8H,1-4H3
InChIKeyYTISDLNIEYQHBJ-UHFFFAOYSA-N
XLogP4.54
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 54.54
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-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole (CID 70826453) is 5-tert-butyl-2-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole is Cn1c(C(F)(F)F)nc2cc(-c3ncc(C(C)(C)C)o3)ccc21.
What is the InChIKey of 5-tert-butyl-2-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole?
The InChIKey is YTISDLNIEYQHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-15(2,3)12-8-20-13(23-12)9-5-6-11-10(7-9)21-14(22(11)4)16(17,18)19/h5-8H,1-4H3.
What are the key properties of 5-tert-butyl-2-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole?
5-tert-butyl-2-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole has a molecular weight of 323.32 g/mol, XLogP of 4.54, 1 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-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-1,3-oxazole is sourced from PubChem (CID 70826453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).