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

C17H10FN3O2 — CID 3266465

IUPAC6-(3-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2cccc(F)c2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H10FN3O2/c18-12-6-4-5-11(9-12)16-20-15-14(17(22)23-16)10-19-21(15)13-7-2-1-3-8-13/h1-10H
InChIKeyVFJAHGIBNFZDBA-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.18
Rot. Bonds2

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

6-(3-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one (PubChem CID 3266465) has the molecular formula C17H10FN3O2 and a molecular weight of 307.28 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name6-(3-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
PubChem CID3266465
Molecular FormulaC17H10FN3O2
Molecular Weight307.28 g/mol
Exact Mass307.08
IUPAC Name6-(3-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2cccc(F)c2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H10FN3O2/c18-12-6-4-5-11(9-12)16-20-15-14(17(22)23-16)10-19-21(15)13-7-2-1-3-8-13/h1-10H
InChIKeyVFJAHGIBNFZDBA-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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Related Compounds

Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate
CID 703785
Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 1,6-diphenyl-
CID 692942
Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-chlorophenyl)-1-phenyl-
CID 690939
ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate
CID 688689
6-(4-Methylphenyl)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4-one
CID 722801
6-[(3-Fluorophenyl)methoxy]-1-methyl-5-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 132259513
6-(2-fluorophenyl)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one
CID 692962
3-amino-2,6-diphenylpyrano[4,3-c]pyrazol-4(2H)-one
CID 902166
Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 1-methyl-6-(2-nitrophenyl)-
CID 3071659
ethyl 5-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate
CID 13802152
benzyl 2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetate
CID 646000
(4-Oxo-1-p-tolyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetic acid benzyl ester
CID 651518

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The IUPAC name of 6-(3-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one (CID 3266465) is 6-(3-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one.
What is the SMILES notation for 6-(3-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The canonical SMILES for 6-(3-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one is O=c1oc(-c2cccc(F)c2)nc2c1cnn2-c1ccccc1.
What is the InChIKey of 6-(3-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The InChIKey is VFJAHGIBNFZDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3O2/c18-12-6-4-5-11(9-12)16-20-15-14(17(22)23-16)10-19-21(15)13-7-2-1-3-8-13/h1-10H.
What are the key properties of 6-(3-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
6-(3-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-(3-fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one is sourced from PubChem (CID 3266465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).