2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone

C15H11F3N2O3 — CID 44610282

IUPAC2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(O)c(C(F)(F)F)c1)N1CCOc2ccncc21
InChIInChI=1S/C15H11F3N2O3/c16-15(17,18)10-7-9(1-2-12(10)21)14(22)20-5-6-23-13-3-4-19-8-11(13)20/h1-4,7-8,21H,5-6H2
InChIKeyRNOYERNJPWQDNS-UHFFFAOYSA-N
MW324.26 g/mol
LogP2.85
Rot. Bonds1

About 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone

2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone (PubChem CID 44610282) has the molecular formula C15H11F3N2O3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone
PubChem CID44610282
Molecular FormulaC15H11F3N2O3
Molecular Weight324.26 g/mol
Exact Mass324.07
IUPAC Name2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(O)c(C(F)(F)F)c1)N1CCOc2ccncc21
InChIInChI=1S/C15H11F3N2O3/c16-15(17,18)10-7-9(1-2-12(10)21)14(22)20-5-6-23-13-3-4-19-8-11(13)20/h1-4,7-8,21H,5-6H2
InChIKeyRNOYERNJPWQDNS-UHFFFAOYSA-N
XLogP2.85
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone (CID 44610282) is 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(O)c(C(F)(F)F)c1)N1CCOc2ccncc21.
What is the InChIKey of 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is RNOYERNJPWQDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3/c16-15(17,18)10-7-9(1-2-12(10)21)14(22)20-5-6-23-13-3-4-19-8-11(13)20/h1-4,7-8,21H,5-6H2.
What are the key properties of 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone?
2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 324.26 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 44610282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).