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

C19H14N2O2 — CID 132596417

IUPAC5-(3-methylphenyl)-2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one
SMILESCc1cccc(-c2cc(=O)n3nc(-c4ccccc4)cc3o2)c1
InChIInChI=1S/C19H14N2O2/c1-13-6-5-9-15(10-13)17-12-18(22)21-19(23-17)11-16(20-21)14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyCJOIEFFFLSHPIO-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.93
Rot. Bonds2

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

5-(3-methylphenyl)-2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one (PubChem CID 132596417) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-(3-methylphenyl)-2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one.

Molecular Properties

Compound Name5-(3-methylphenyl)-2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one
PubChem CID132596417
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name5-(3-methylphenyl)-2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one
SMILESCc1cccc(-c2cc(=O)n3nc(-c4ccccc4)cc3o2)c1
InChIInChI=1S/C19H14N2O2/c1-13-6-5-9-15(10-13)17-12-18(22)21-19(23-17)11-16(20-21)14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyCJOIEFFFLSHPIO-UHFFFAOYSA-N
XLogP3.93
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis(3-methylphenyl)pyran-4-one
CID 73055523
2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one
CID 132596409
5-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrazolo[5,1-b][1,3]oxazin-7-one
CID 132596420
4-hydroxy-6-(3-methylphenyl)pyran-2-one
CID 54690178
1-methyl-3-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 13370519
4,9,14-tris(3-methylphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 102106371
6-(3-methylphenyl)-2-[6-(3-methylphenyl)furo[3,2-f][1]benzofuran-2-yl]furo[3,2-f][1]benzofuran
CID 145031024
ethane;4-(3-methylphenyl)-2,6-diphenylpyridine
CID 144632055
7-iodo-3-(3-methylphenyl)pyrrolo[2,1-c][1,4]oxazin-1-one
CID 68996704
3-[3-(3-methylphenyl)-6-oxopyridazin-1-yl]propanoic acid
CID 56770644
5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 27372312
ethane;1-methyl-3-phenylbenzene
CID 142040878

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one?
The IUPAC name of 5-(3-methylphenyl)-2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one (CID 132596417) is 5-(3-methylphenyl)-2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one.
What is the SMILES notation for 5-(3-methylphenyl)-2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one?
The canonical SMILES for 5-(3-methylphenyl)-2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one is Cc1cccc(-c2cc(=O)n3nc(-c4ccccc4)cc3o2)c1.
What is the InChIKey of 5-(3-methylphenyl)-2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one?
The InChIKey is CJOIEFFFLSHPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-13-6-5-9-15(10-13)17-12-18(22)21-19(23-17)11-16(20-21)14-7-3-2-4-8-14/h2-12H,1H3.
What are the key properties of 5-(3-methylphenyl)-2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one?
5-(3-methylphenyl)-2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one has a molecular weight of 302.33 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-2-phenylpyrazolo[5,1-b][1,3]oxazin-7-one is sourced from PubChem (CID 132596417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).