1,6-diphenylpyrazolo[5,4-d][1,3]oxazin-4-one

C17H11N3O2 — CID 692942

IUPAC1,6-diphenylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2ccccc2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H11N3O2/c21-17-14-11-18-20(13-9-5-2-6-10-13)15(14)19-16(22-17)12-7-3-1-4-8-12/h1-11H
InChIKeyBCCJIDPZJCOJRY-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.04
Rot. Bonds2

About 1,6-diphenylpyrazolo[5,4-d][1,3]oxazin-4-one

1,6-diphenylpyrazolo[5,4-d][1,3]oxazin-4-one (PubChem CID 692942) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is 1,6-diphenylpyrazolo[5,4-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name1,6-diphenylpyrazolo[5,4-d][1,3]oxazin-4-one
PubChem CID692942
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name1,6-diphenylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2ccccc2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H11N3O2/c21-17-14-11-18-20(13-9-5-2-6-10-13)15(14)19-16(22-17)12-7-3-1-4-8-12/h1-11H
InChIKeyBCCJIDPZJCOJRY-UHFFFAOYSA-N
XLogP3.04
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,6-diphenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The IUPAC name of 1,6-diphenylpyrazolo[5,4-d][1,3]oxazin-4-one (CID 692942) is 1,6-diphenylpyrazolo[5,4-d][1,3]oxazin-4-one.
What is the SMILES notation for 1,6-diphenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The canonical SMILES for 1,6-diphenylpyrazolo[5,4-d][1,3]oxazin-4-one is O=c1oc(-c2ccccc2)nc2c1cnn2-c1ccccc1.
What is the InChIKey of 1,6-diphenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The InChIKey is BCCJIDPZJCOJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2/c21-17-14-11-18-20(13-9-5-2-6-10-13)15(14)19-16(22-17)12-7-3-1-4-8-12/h1-11H.
What are the key properties of 1,6-diphenylpyrazolo[5,4-d][1,3]oxazin-4-one?
1,6-diphenylpyrazolo[5,4-d][1,3]oxazin-4-one has a molecular weight of 289.29 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diphenylpyrazolo[5,4-d][1,3]oxazin-4-one is sourced from PubChem (CID 692942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).