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

C17H10FN3O2 — CID 692962

IUPAC6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2ccccc2F)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H10FN3O2/c18-14-9-5-4-8-12(14)16-20-15-13(17(22)23-16)10-19-21(15)11-6-2-1-3-7-11/h1-10H
InChIKeyHVVVJLIBHSKMRP-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.18
Rot. Bonds2

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

6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one (PubChem CID 692962) has the molecular formula C17H10FN3O2 and a molecular weight of 307.28 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
PubChem CID692962
Molecular FormulaC17H10FN3O2
Molecular Weight307.28 g/mol
Exact Mass307.08
IUPAC Name6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2ccccc2F)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H10FN3O2/c18-14-9-5-4-8-12(14)16-20-15-13(17(22)23-16)10-19-21(15)11-6-2-1-3-7-11/h1-10H
InChIKeyHVVVJLIBHSKMRP-UHFFFAOYSA-N
XLogP3.18
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The IUPAC name of 6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one (CID 692962) is 6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one.
What is the SMILES notation for 6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The canonical SMILES for 6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one is O=c1oc(-c2ccccc2F)nc2c1cnn2-c1ccccc1.
What is the InChIKey of 6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The InChIKey is HVVVJLIBHSKMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3O2/c18-14-9-5-4-8-12(14)16-20-15-13(17(22)23-16)10-19-21(15)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one has a molecular weight of 307.28 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one is sourced from PubChem (CID 692962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).