2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one

C12H8N2O2 — CID 132596409

IUPAC2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one
SMILESO=c1ccoc2cc(-c3ccccc3)nn12
InChIInChI=1S/C12H8N2O2/c15-11-6-7-16-12-8-10(13-14(11)12)9-4-2-1-3-5-9/h1-8H
InChIKeyNHRMEUQLDRVKLO-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.95
Rot. Bonds1

About 2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one

2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one (PubChem CID 132596409) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one.

Molecular Properties

Compound Name2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one
PubChem CID132596409
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one
SMILESO=c1ccoc2cc(-c3ccccc3)nn12
InChIInChI=1S/C12H8N2O2/c15-11-6-7-16-12-8-10(13-14(11)12)9-4-2-1-3-5-9/h1-8H
InChIKeyNHRMEUQLDRVKLO-UHFFFAOYSA-N
XLogP1.95
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
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5-(3-methylphenyl)-2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one
CID 132596417
2,5,7-triphenylpyrazolo[1,5-a]pyridine
CID 12773469
1,3,5-triphenylpyrazole
CID 626614
(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 103281269
2,3,6-triphenylpyrimidin-4-one
CID 13280772
7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine
CID 3955995
2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271662
2-methyl-6-(4-phenylphenyl)pyridazin-3-one
CID 57150273
2-ethylsulfanyl-4-(furan-2-yl)-7-phenylpyrazolo[1,5-a][1,3,5]triazine
CID 71517746
2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione
CID 137182918
5-chloro-2-phenylpyrazolo[1,5-a]quinazoline
CID 73334175

Frequently Asked Questions

What is the IUPAC name of 2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one?
The IUPAC name of 2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one (CID 132596409) is 2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one.
What is the SMILES notation for 2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one?
The canonical SMILES for 2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one is O=c1ccoc2cc(-c3ccccc3)nn12.
What is the InChIKey of 2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one?
The InChIKey is NHRMEUQLDRVKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-11-6-7-16-12-8-10(13-14(11)12)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one?
2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one has a molecular weight of 212.21 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one is sourced from PubChem (CID 132596409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).