2,2,2-trifluoro-N-(2H-pyrido[1,2-d][1,4]oxazepin-1-yl)acetamide

C11H9F3N2O2 — CID 87992860

IUPAC2,2,2-trifluoro-N-(2H-pyrido[1,2-d][1,4]oxazepin-1-yl)acetamide
SMILESO=C(NC1=C2C=CC=CN2C=COC1)C(F)(F)F
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)10(17)15-8-7-18-6-5-16-4-2-1-3-9(8)16/h1-6H,7H2,(H,15,17)
InChIKeyKSEKZTJBBFTNTA-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.76
Rot. Bonds1

About 2,2,2-trifluoro-N-(2H-pyrido[1,2-d][1,4]oxazepin-1-yl)acetamide

2,2,2-trifluoro-N-(2H-pyrido[1,2-d][1,4]oxazepin-1-yl)acetamide (PubChem CID 87992860) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2H-pyrido[1,2-d][1,4]oxazepin-1-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2H-pyrido[1,2-d][1,4]oxazepin-1-yl)acetamide
PubChem CID87992860
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name2,2,2-trifluoro-N-(2H-pyrido[1,2-d][1,4]oxazepin-1-yl)acetamide
SMILESO=C(NC1=C2C=CC=CN2C=COC1)C(F)(F)F
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)10(17)15-8-7-18-6-5-16-4-2-1-3-9(8)16/h1-6H,7H2,(H,15,17)
InChIKeyKSEKZTJBBFTNTA-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2H-pyrido[1,2-d][1,4]oxazepin-1-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2H-pyrido[1,2-d][1,4]oxazepin-1-yl)acetamide (CID 87992860) is 2,2,2-trifluoro-N-(2H-pyrido[1,2-d][1,4]oxazepin-1-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2H-pyrido[1,2-d][1,4]oxazepin-1-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2H-pyrido[1,2-d][1,4]oxazepin-1-yl)acetamide is O=C(NC1=C2C=CC=CN2C=COC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2H-pyrido[1,2-d][1,4]oxazepin-1-yl)acetamide?
The InChIKey is KSEKZTJBBFTNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c12-11(13,14)10(17)15-8-7-18-6-5-16-4-2-1-3-9(8)16/h1-6H,7H2,(H,15,17).
What are the key properties of 2,2,2-trifluoro-N-(2H-pyrido[1,2-d][1,4]oxazepin-1-yl)acetamide?
2,2,2-trifluoro-N-(2H-pyrido[1,2-d][1,4]oxazepin-1-yl)acetamide has a molecular weight of 258.20 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2H-pyrido[1,2-d][1,4]oxazepin-1-yl)acetamide is sourced from PubChem (CID 87992860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).