2,2,2-trifluoro-N-[(3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide

C10H12F3N3O2 — CID 146610993

IUPAC2,2,2-trifluoro-N-[(3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide
SMILESCc1cnn2c1OCC(CNC(=O)C(F)(F)F)C2
InChIInChI=1S/C10H12F3N3O2/c1-6-2-15-16-4-7(5-18-8(6)16)3-14-9(17)10(11,12)13/h2,7H,3-5H2,1H3,(H,14,17)
InChIKeyLCDXPIBWOBKNTI-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.88
Rot. Bonds2

About 2,2,2-trifluoro-N-[(3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide

2,2,2-trifluoro-N-[(3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide (PubChem CID 146610993) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide
PubChem CID146610993
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name2,2,2-trifluoro-N-[(3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide
SMILESCc1cnn2c1OCC(CNC(=O)C(F)(F)F)C2
InChIInChI=1S/C10H12F3N3O2/c1-6-2-15-16-4-7(5-18-8(6)16)3-14-9(17)10(11,12)13/h2,7H,3-5H2,1H3,(H,14,17)
InChIKeyLCDXPIBWOBKNTI-UHFFFAOYSA-N
XLogP0.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.88
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-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide (CID 146610993) is 2,2,2-trifluoro-N-[(3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide is Cc1cnn2c1OCC(CNC(=O)C(F)(F)F)C2.
What is the InChIKey of 2,2,2-trifluoro-N-[(3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide?
The InChIKey is LCDXPIBWOBKNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-6-2-15-16-4-7(5-18-8(6)16)3-14-9(17)10(11,12)13/h2,7H,3-5H2,1H3,(H,14,17).
What are the key properties of 2,2,2-trifluoro-N-[(3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide has a molecular weight of 263.22 g/mol, XLogP of 0.88, 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-[(3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide is sourced from PubChem (CID 146610993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).