4-(4-methoxyphenyl)-3,6-diphenylpyrazolo[4,5-d][1,2]oxazole

C23H17N3O2 — CID 172991391

IUPAC4-(4-methoxyphenyl)-3,6-diphenylpyrazolo[4,5-d][1,2]oxazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)c3onc(-c4ccccc4)c23)cc1
InChIInChI=1S/C23H17N3O2/c1-27-19-14-12-17(13-15-19)21-20-22(16-8-4-2-5-9-16)25-28-23(20)26(24-21)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyCUUSOWVGPANKRL-UHFFFAOYSA-N
MW367.41 g/mol
LogP5.36
Rot. Bonds4

About 4-(4-methoxyphenyl)-3,6-diphenylpyrazolo[4,5-d][1,2]oxazole

4-(4-methoxyphenyl)-3,6-diphenylpyrazolo[4,5-d][1,2]oxazole (PubChem CID 172991391) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3,6-diphenylpyrazolo[4,5-d][1,2]oxazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3,6-diphenylpyrazolo[4,5-d][1,2]oxazole
PubChem CID172991391
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name4-(4-methoxyphenyl)-3,6-diphenylpyrazolo[4,5-d][1,2]oxazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)c3onc(-c4ccccc4)c23)cc1
InChIInChI=1S/C23H17N3O2/c1-27-19-14-12-17(13-15-19)21-20-22(16-8-4-2-5-9-16)25-28-23(20)26(24-21)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyCUUSOWVGPANKRL-UHFFFAOYSA-N
XLogP5.36
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.41
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4,6-diphenylpyrazolo[4,5-d][1,2]oxazole
CID 86154193
4-ethyl-3,5-bis(4-methoxyphenyl)-1-phenylpyrazole
CID 19586817
1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazolo[3,4-d]pyridazin-4-one
CID 101073862
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492
5-acetyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonitrile
CID 71377669
2-(4-methoxyphenyl)-1,4-diphenylpyrazolo[3,4-c]quinoline
CID 132918864
4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole
CID 10808049
4-(4-methoxybenzoyl)-2,5-diphenylpyrazole-3-carbonitrile
CID 154708815
19-(4-methoxyphenyl)-14-methyl-16-phenyl-15,16,18-triazatricyclo[10.7.0.013,17]nonadeca-1(12),13(17),14,18-tetraene
CID 53472994
4-methoxy-1,3,5-triphenylpyrazole
CID 21489465
8-(4-methoxyphenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one
CID 19700943

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3,6-diphenylpyrazolo[4,5-d][1,2]oxazole?
The IUPAC name of 4-(4-methoxyphenyl)-3,6-diphenylpyrazolo[4,5-d][1,2]oxazole (CID 172991391) is 4-(4-methoxyphenyl)-3,6-diphenylpyrazolo[4,5-d][1,2]oxazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-3,6-diphenylpyrazolo[4,5-d][1,2]oxazole?
The canonical SMILES for 4-(4-methoxyphenyl)-3,6-diphenylpyrazolo[4,5-d][1,2]oxazole is COc1ccc(-c2nn(-c3ccccc3)c3onc(-c4ccccc4)c23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3,6-diphenylpyrazolo[4,5-d][1,2]oxazole?
The InChIKey is CUUSOWVGPANKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c1-27-19-14-12-17(13-15-19)21-20-22(16-8-4-2-5-9-16)25-28-23(20)26(24-21)18-10-6-3-7-11-18/h2-15H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-3,6-diphenylpyrazolo[4,5-d][1,2]oxazole?
4-(4-methoxyphenyl)-3,6-diphenylpyrazolo[4,5-d][1,2]oxazole has a molecular weight of 367.41 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3,6-diphenylpyrazolo[4,5-d][1,2]oxazole is sourced from PubChem (CID 172991391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).