3-methyl-4,6-diphenylpyrazolo[4,5-d][1,2]oxazole

C17H13N3O — CID 86154193

IUPAC3-methyl-4,6-diphenylpyrazolo[4,5-d][1,2]oxazole
SMILESCc1noc2c1c(-c1ccccc1)nn2-c1ccccc1
InChIInChI=1S/C17H13N3O/c1-12-15-16(13-8-4-2-5-9-13)18-20(17(15)21-19-12)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyITSJUHZUKIAWOZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.99
Rot. Bonds2

About 3-methyl-4,6-diphenylpyrazolo[4,5-d][1,2]oxazole

3-methyl-4,6-diphenylpyrazolo[4,5-d][1,2]oxazole (PubChem CID 86154193) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-methyl-4,6-diphenylpyrazolo[4,5-d][1,2]oxazole.

Molecular Properties

Compound Name3-methyl-4,6-diphenylpyrazolo[4,5-d][1,2]oxazole
PubChem CID86154193
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name3-methyl-4,6-diphenylpyrazolo[4,5-d][1,2]oxazole
SMILESCc1noc2c1c(-c1ccccc1)nn2-c1ccccc1
InChIInChI=1S/C17H13N3O/c1-12-15-16(13-8-4-2-5-9-13)18-20(17(15)21-19-12)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyITSJUHZUKIAWOZ-UHFFFAOYSA-N
XLogP3.99
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-3,6-diphenylpyrazolo[4,5-d][1,2]oxazole
CID 172991391
5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine
CID 1480891
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769
5-chloro-4-methyl-1,3-diphenylpyrazole
CID 104847504
3,5-dimethyl-1-phenylpyrazolo[4,5-d][1,3]oxazole
CID 13409655
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
4-hydroxy-3-methyl-1,5-diphenylpyrano[3,2-d]pyrazol-6-one
CID 102170831
1,3,5-triphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 101449994
2,3,4,6-tetraphenylpyrazolo[3,4-d]pyridazin-7-one
CID 10622967
5-methyl-1,3-diphenylpyrazole-4-carboxylate
CID 4739263

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,6-diphenylpyrazolo[4,5-d][1,2]oxazole?
The IUPAC name of 3-methyl-4,6-diphenylpyrazolo[4,5-d][1,2]oxazole (CID 86154193) is 3-methyl-4,6-diphenylpyrazolo[4,5-d][1,2]oxazole.
What is the SMILES notation for 3-methyl-4,6-diphenylpyrazolo[4,5-d][1,2]oxazole?
The canonical SMILES for 3-methyl-4,6-diphenylpyrazolo[4,5-d][1,2]oxazole is Cc1noc2c1c(-c1ccccc1)nn2-c1ccccc1.
What is the InChIKey of 3-methyl-4,6-diphenylpyrazolo[4,5-d][1,2]oxazole?
The InChIKey is ITSJUHZUKIAWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-12-15-16(13-8-4-2-5-9-13)18-20(17(15)21-19-12)14-10-6-3-7-11-14/h2-11H,1H3.
What are the key properties of 3-methyl-4,6-diphenylpyrazolo[4,5-d][1,2]oxazole?
3-methyl-4,6-diphenylpyrazolo[4,5-d][1,2]oxazole has a molecular weight of 275.31 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,6-diphenylpyrazolo[4,5-d][1,2]oxazole is sourced from PubChem (CID 86154193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).