6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one

C17H11N3O3 — CID 3087663

IUPAC6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2ccccc2O)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H11N3O3/c21-14-9-5-4-8-12(14)16-19-15-13(17(22)23-16)10-18-20(15)11-6-2-1-3-7-11/h1-10,21H
InChIKeyZHHAXRWNPOFCOS-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.75
Rot. Bonds2

About 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one

6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one (PubChem CID 3087663) has the molecular formula C17H11N3O3 and a molecular weight of 305.29 g/mol. Its IUPAC name is 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
PubChem CID3087663
Molecular FormulaC17H11N3O3
Molecular Weight305.29 g/mol
Exact Mass305.08
IUPAC Name6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2ccccc2O)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H11N3O3/c21-14-9-5-4-8-12(14)16-19-15-13(17(22)23-16)10-18-20(15)11-6-2-1-3-7-11/h1-10,21H
InChIKeyZHHAXRWNPOFCOS-UHFFFAOYSA-N
XLogP2.75
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The IUPAC name of 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one (CID 3087663) is 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one.
What is the SMILES notation for 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The canonical SMILES for 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one is O=c1oc(-c2ccccc2O)nc2c1cnn2-c1ccccc1.
What is the InChIKey of 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The InChIKey is ZHHAXRWNPOFCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O3/c21-14-9-5-4-8-12(14)16-19-15-13(17(22)23-16)10-18-20(15)11-6-2-1-3-7-11/h1-10,21H.
What are the key properties of 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one has a molecular weight of 305.29 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one is sourced from PubChem (CID 3087663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).