2-(3-methyl-1,2-oxazol-5-yl)-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]acetamide

C16H15F3N4O2 — CID 91775262

IUPAC2-(3-methyl-1,2-oxazol-5-yl)-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]acetamide
SMILESCc1cc(CC(=O)NCc2nc3cc(C(F)(F)F)ccc3n2C)on1
InChIInChI=1S/C16H15F3N4O2/c1-9-5-11(25-22-9)7-15(24)20-8-14-21-12-6-10(16(17,18)19)3-4-13(12)23(14)2/h3-6H,7-8H2,1-2H3,(H,20,24)
InChIKeyZZUXPTJDMNYUOT-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.75
Rot. Bonds4

About 2-(3-methyl-1,2-oxazol-5-yl)-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]acetamide

2-(3-methyl-1,2-oxazol-5-yl)-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]acetamide (PubChem CID 91775262) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazol-5-yl)-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]acetamide
PubChem CID91775262
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC Name2-(3-methyl-1,2-oxazol-5-yl)-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]acetamide
SMILESCc1cc(CC(=O)NCc2nc3cc(C(F)(F)F)ccc3n2C)on1
InChIInChI=1S/C16H15F3N4O2/c1-9-5-11(25-22-9)7-15(24)20-8-14-21-12-6-10(16(17,18)19)3-4-13(12)23(14)2/h3-6H,7-8H2,1-2H3,(H,20,24)
InChIKeyZZUXPTJDMNYUOT-UHFFFAOYSA-N
XLogP2.75
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]acetamide?
The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]acetamide (CID 91775262) is 2-(3-methyl-1,2-oxazol-5-yl)-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]acetamide is Cc1cc(CC(=O)NCc2nc3cc(C(F)(F)F)ccc3n2C)on1.
What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]acetamide?
The InChIKey is ZZUXPTJDMNYUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c1-9-5-11(25-22-9)7-15(24)20-8-14-21-12-6-10(16(17,18)19)3-4-13(12)23(14)2/h3-6H,7-8H2,1-2H3,(H,20,24).
What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]acetamide?
2-(3-methyl-1,2-oxazol-5-yl)-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]acetamide has a molecular weight of 352.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-oxazol-5-yl)-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]acetamide is sourced from PubChem (CID 91775262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).