2,2,2-trifluoro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]acetamide

C15H10F3N3O2 — CID 58148081

IUPAC2,2,2-trifluoro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]acetamide
SMILESCc1ccc2oc(-c3ccncc3NC(=O)C(F)(F)F)nc2c1
InChIInChI=1S/C15H10F3N3O2/c1-8-2-3-12-10(6-8)20-13(23-12)9-4-5-19-7-11(9)21-14(22)15(16,17)18/h2-7H,1H3,(H,21,22)
InChIKeyFXOAVJDYQLGIRY-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.70
Rot. Bonds2

About 2,2,2-trifluoro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]acetamide

2,2,2-trifluoro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]acetamide (PubChem CID 58148081) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]acetamide
PubChem CID58148081
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name2,2,2-trifluoro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]acetamide
SMILESCc1ccc2oc(-c3ccncc3NC(=O)C(F)(F)F)nc2c1
InChIInChI=1S/C15H10F3N3O2/c1-8-2-3-12-10(6-8)20-13(23-12)9-4-5-19-7-11(9)21-14(22)15(16,17)18/h2-7H,1H3,(H,21,22)
InChIKeyFXOAVJDYQLGIRY-UHFFFAOYSA-N
XLogP3.70
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]acetamide (CID 58148081) is 2,2,2-trifluoro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]acetamide is Cc1ccc2oc(-c3ccncc3NC(=O)C(F)(F)F)nc2c1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]acetamide?
The InChIKey is FXOAVJDYQLGIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c1-8-2-3-12-10(6-8)20-13(23-12)9-4-5-19-7-11(9)21-14(22)15(16,17)18/h2-7H,1H3,(H,21,22).
What are the key properties of 2,2,2-trifluoro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]acetamide?
2,2,2-trifluoro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]acetamide has a molecular weight of 321.26 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 58148081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).