2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide

C10H7F3N2O3 — CID 115190137

IUPAC2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
SMILESCn1c(=O)oc2ccc(NC(=O)C(F)(F)F)cc21
InChIInChI=1S/C10H7F3N2O3/c1-15-6-4-5(14-8(16)10(11,12)13)2-3-7(6)18-9(15)17/h2-4H,1H3,(H,14,16)
InChIKeyVEIYBABNVCUCIN-UHFFFAOYSA-N
MW260.17 g/mol
LogP1.63
Rot. Bonds1

About 2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide

2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide (PubChem CID 115190137) has the molecular formula C10H7F3N2O3 and a molecular weight of 260.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
PubChem CID115190137
Molecular FormulaC10H7F3N2O3
Molecular Weight260.17 g/mol
Exact Mass260.04
IUPAC Name2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
SMILESCn1c(=O)oc2ccc(NC(=O)C(F)(F)F)cc21
InChIInChI=1S/C10H7F3N2O3/c1-15-6-4-5(14-8(16)10(11,12)13)2-3-7(6)18-9(15)17/h2-4H,1H3,(H,14,16)
InChIKeyVEIYBABNVCUCIN-UHFFFAOYSA-N
XLogP1.63
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 51.63
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-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide (CID 115190137) is 2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide is Cn1c(=O)oc2ccc(NC(=O)C(F)(F)F)cc21.
What is the InChIKey of 2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is VEIYBABNVCUCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O3/c1-15-6-4-5(14-8(16)10(11,12)13)2-3-7(6)18-9(15)17/h2-4H,1H3,(H,14,16).
What are the key properties of 2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide?
2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 260.17 g/mol, XLogP of 1.63, 1 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-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 115190137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).