7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-3-phenylpyrazolo[5,1-b][1,3]oxazole

C24H17FN2O3S — CID 11154703

IUPAC7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-3-phenylpyrazolo[5,1-b][1,3]oxazole
SMILESCS(=O)(=O)c1ccc(-c2nn3c(-c4ccccc4)coc3c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H17FN2O3S/c1-31(28,29)20-13-9-18(10-14-20)23-22(17-7-11-19(25)12-8-17)24-27(26-23)21(15-30-24)16-5-3-2-4-6-16/h2-15H,1H3
InChIKeyURCDBDNWCDGMHH-UHFFFAOYSA-N
MW432.48 g/mol
LogP5.47
Rot. Bonds4

About 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-3-phenylpyrazolo[5,1-b][1,3]oxazole

7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-3-phenylpyrazolo[5,1-b][1,3]oxazole (PubChem CID 11154703) has the molecular formula C24H17FN2O3S and a molecular weight of 432.48 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-3-phenylpyrazolo[5,1-b][1,3]oxazole.

Molecular Properties

Compound Name7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-3-phenylpyrazolo[5,1-b][1,3]oxazole
PubChem CID11154703
Molecular FormulaC24H17FN2O3S
Molecular Weight432.48 g/mol
Exact Mass432.09
IUPAC Name7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-3-phenylpyrazolo[5,1-b][1,3]oxazole
SMILESCS(=O)(=O)c1ccc(-c2nn3c(-c4ccccc4)coc3c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H17FN2O3S/c1-31(28,29)20-13-9-18(10-14-20)23-22(17-7-11-19(25)12-8-17)24-27(26-23)21(15-30-24)16-5-3-2-4-6-16/h2-15H,1H3
InChIKeyURCDBDNWCDGMHH-UHFFFAOYSA-N
XLogP5.47
TPSA64.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyrazolo[5,1-b][1,3]oxazole
CID 11314277
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-5H-pyrazolo[1,5-a][3,1]benzoxazine
CID 11430084
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1-phenylpyrazole-3-carbonitrile
CID 19041436
3,4-diethyl-8-(4-fluorophenyl)-7-(4-methylsulfonylphenyl)pyrazolo[5,1-c][1,2,4]triazine
CID 11796591
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethenyl)pyridazin-3-one
CID 174386856
2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one
CID 22562342
1-[3-(4-fluorophenyl)-7-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 10526283
4-(4-fluorophenyl)-2,5-bis(4-methylsulfonylphenyl)pyridazin-3-one
CID 10185280
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(4-phenoxyphenyl)pyridazin-3-one
CID 10142368
2-(2-bromophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
CID 139947672
5-(difluoromethyl)-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole
CID 10154821
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 18324902

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-3-phenylpyrazolo[5,1-b][1,3]oxazole?
The IUPAC name of 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-3-phenylpyrazolo[5,1-b][1,3]oxazole (CID 11154703) is 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-3-phenylpyrazolo[5,1-b][1,3]oxazole.
What is the SMILES notation for 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-3-phenylpyrazolo[5,1-b][1,3]oxazole?
The canonical SMILES for 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-3-phenylpyrazolo[5,1-b][1,3]oxazole is CS(=O)(=O)c1ccc(-c2nn3c(-c4ccccc4)coc3c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-3-phenylpyrazolo[5,1-b][1,3]oxazole?
The InChIKey is URCDBDNWCDGMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2O3S/c1-31(28,29)20-13-9-18(10-14-20)23-22(17-7-11-19(25)12-8-17)24-27(26-23)21(15-30-24)16-5-3-2-4-6-16/h2-15H,1H3.
What are the key properties of 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-3-phenylpyrazolo[5,1-b][1,3]oxazole?
7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-3-phenylpyrazolo[5,1-b][1,3]oxazole has a molecular weight of 432.48 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-3-phenylpyrazolo[5,1-b][1,3]oxazole is sourced from PubChem (CID 11154703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).