6-(phenoxymethyl)-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one

C19H16N2O3 — CID 24767536

IUPAC6-(phenoxymethyl)-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one
SMILESO=C1OC(COc2ccccc2)Cn2nc(-c3ccccc3)cc21
InChIInChI=1S/C19H16N2O3/c22-19-18-11-17(14-7-3-1-4-8-14)20-21(18)12-16(24-19)13-23-15-9-5-2-6-10-15/h1-11,16H,12-13H2
InChIKeyHLQQYIIGMXMNDY-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.17
Rot. Bonds4

About 6-(phenoxymethyl)-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one

6-(phenoxymethyl)-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one (PubChem CID 24767536) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 6-(phenoxymethyl)-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one.

Molecular Properties

Compound Name6-(phenoxymethyl)-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one
PubChem CID24767536
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name6-(phenoxymethyl)-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one
SMILESO=C1OC(COc2ccccc2)Cn2nc(-c3ccccc3)cc21
InChIInChI=1S/C19H16N2O3/c22-19-18-11-17(14-7-3-1-4-8-14)20-21(18)12-16(24-19)13-23-15-9-5-2-6-10-15/h1-11,16H,12-13H2
InChIKeyHLQQYIIGMXMNDY-UHFFFAOYSA-N
XLogP3.17
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(phenoxymethyl)-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one?
The IUPAC name of 6-(phenoxymethyl)-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one (CID 24767536) is 6-(phenoxymethyl)-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one.
What is the SMILES notation for 6-(phenoxymethyl)-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one?
The canonical SMILES for 6-(phenoxymethyl)-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one is O=C1OC(COc2ccccc2)Cn2nc(-c3ccccc3)cc21.
What is the InChIKey of 6-(phenoxymethyl)-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one?
The InChIKey is HLQQYIIGMXMNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-19-18-11-17(14-7-3-1-4-8-14)20-21(18)12-16(24-19)13-23-15-9-5-2-6-10-15/h1-11,16H,12-13H2.
What are the key properties of 6-(phenoxymethyl)-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one?
6-(phenoxymethyl)-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one has a molecular weight of 320.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(phenoxymethyl)-2-phenyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one is sourced from PubChem (CID 24767536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).