N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

C17H18F3N3O4 — CID 155945530

About N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 155945530) has the molecular formula C17H18F3N3O4 and a molecular weight of 385.34 g/mol. Its IUPAC name is N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
• PubChem CID: 155945530
• Molecular Formula: C17H18F3N3O4
• Molecular Weight: 385.34 g/mol
• Exact Mass: 385.12
• IUPAC Name: N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
• SMILES: O=C(NCC(O)COc1cccc(C(F)(F)F)c1)c1cnn2c1OCCC2
• InChI: InChI=1S/C17H18F3N3O4/c18-17(19,20)11-3-1-4-13(7-11)27-10-12(24)8-21-15(25)14-9-22-23-5-2-6-26-16(14)23/h1,3-4,7,9,12,24H,2,5-6,8,10H2,(H,21,25)
• InChIKey: YSUSDCDWRKMAKM-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 85.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.34
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?

The IUPAC name of N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 155945530) is N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

What is the SMILES notation for N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?

The canonical SMILES for N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is O=C(NCC(O)COc1cccc(C(F)(F)F)c1)c1cnn2c1OCCC2.

What is the InChIKey of N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?

The InChIKey is YSUSDCDWRKMAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O4/c18-17(19,20)11-3-1-4-13(7-11)27-10-12(24)8-21-15(25)14-9-22-23-5-2-6-26-16(14)23/h1,3-4,7,9,12,24H,2,5-6,8,10H2,(H,21,25).

What are the key properties of N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?

N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 385.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 155945530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).