6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one

C18H13N3O2 — CID 722801

IUPAC6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESCc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)o2)cc1
InChIInChI=1S/C18H13N3O2/c1-12-7-9-13(10-8-12)17-20-16-15(18(22)23-17)11-19-21(16)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyFTEMUEPPHZFXQI-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.35
Rot. Bonds2

About 6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one

6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one (PubChem CID 722801) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
PubChem CID722801
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESCc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)o2)cc1
InChIInChI=1S/C18H13N3O2/c1-12-7-9-13(10-8-12)17-20-16-15(18(22)23-17)11-19-21(16)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyFTEMUEPPHZFXQI-UHFFFAOYSA-N
XLogP3.35
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The IUPAC name of 6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one (CID 722801) is 6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one.
What is the SMILES notation for 6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The canonical SMILES for 6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one is Cc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)o2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The InChIKey is FTEMUEPPHZFXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-12-7-9-13(10-8-12)17-20-16-15(18(22)23-17)11-19-21(16)14-5-3-2-4-6-14/h2-11H,1H3.
What are the key properties of 6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one has a molecular weight of 303.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one is sourced from PubChem (CID 722801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).