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

C18H13FN2O3S — CID 11314277

IUPAC7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyrazolo[5,1-b][1,3]oxazole
SMILESCS(=O)(=O)c1ccc(-c2nn3ccoc3c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H13FN2O3S/c1-25(22,23)15-8-4-13(5-9-15)17-16(12-2-6-14(19)7-3-12)18-21(20-17)10-11-24-18/h2-11H,1H3
InChIKeyBOBYXXYJWMIOMW-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.80
Rot. Bonds3

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

7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyrazolo[5,1-b][1,3]oxazole (PubChem CID 11314277) has the molecular formula C18H13FN2O3S and a molecular weight of 356.38 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyrazolo[5,1-b][1,3]oxazole.

Molecular Properties

Compound Name7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyrazolo[5,1-b][1,3]oxazole
PubChem CID11314277
Molecular FormulaC18H13FN2O3S
Molecular Weight356.38 g/mol
Exact Mass356.06
IUPAC Name7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyrazolo[5,1-b][1,3]oxazole
SMILESCS(=O)(=O)c1ccc(-c2nn3ccoc3c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H13FN2O3S/c1-25(22,23)15-8-4-13(5-9-15)17-16(12-2-6-14(19)7-3-12)18-21(20-17)10-11-24-18/h2-11H,1H3
InChIKeyBOBYXXYJWMIOMW-UHFFFAOYSA-N
XLogP3.80
TPSA64.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)-3-phenylpyrazolo[5,1-b][1,3]oxazole
CID 11154703
2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one
CID 22562342
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-5H-pyrazolo[1,5-a][3,1]benzoxazine
CID 11430084
3,4-diethyl-8-(4-fluorophenyl)-7-(4-methylsulfonylphenyl)pyrazolo[5,1-c][1,2,4]triazine
CID 11796591
4-(4-fluorophenyl)-2,5-bis(4-methylsulfonylphenyl)pyridazin-3-one
CID 10185280
2-[3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19355827
1-[3-(4-fluorophenyl)-7-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 10526283
N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridin-2-yl]aniline
CID 139886857
ethane;4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole
CID 142959263
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 10180820
[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl] acetate
CID 67644928
2-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 22911810

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyrazolo[5,1-b][1,3]oxazole?
The IUPAC name of 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyrazolo[5,1-b][1,3]oxazole (CID 11314277) is 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyrazolo[5,1-b][1,3]oxazole.
What is the SMILES notation for 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyrazolo[5,1-b][1,3]oxazole?
The canonical SMILES for 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyrazolo[5,1-b][1,3]oxazole is CS(=O)(=O)c1ccc(-c2nn3ccoc3c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyrazolo[5,1-b][1,3]oxazole?
The InChIKey is BOBYXXYJWMIOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O3S/c1-25(22,23)15-8-4-13(5-9-15)17-16(12-2-6-14(19)7-3-12)18-21(20-17)10-11-24-18/h2-11H,1H3.
What are the key properties of 7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyrazolo[5,1-b][1,3]oxazole?
7-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyrazolo[5,1-b][1,3]oxazole has a molecular weight of 356.38 g/mol, XLogP of 3.80, 3 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)pyrazolo[5,1-b][1,3]oxazole is sourced from PubChem (CID 11314277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).