5-[2-(benzenesulfonyl)pyrazol-3-yl]-3-phenyl-1,2-oxazole

C18H13N3O3S — CID 2745623

IUPAC5-[2-(benzenesulfonyl)pyrazol-3-yl]-3-phenyl-1,2-oxazole
SMILESO=S(=O)(c1ccccc1)n1nccc1-c1cc(-c2ccccc2)no1
InChIInChI=1S/C18H13N3O3S/c22-25(23,15-9-5-2-6-10-15)21-17(11-12-19-21)18-13-16(20-24-18)14-7-3-1-4-8-14/h1-13H
InChIKeyIJUMAJAGSLYUAO-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.44
Rot. Bonds4

About 5-[2-(benzenesulfonyl)pyrazol-3-yl]-3-phenyl-1,2-oxazole

5-[2-(benzenesulfonyl)pyrazol-3-yl]-3-phenyl-1,2-oxazole (PubChem CID 2745623) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is 5-[2-(benzenesulfonyl)pyrazol-3-yl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-[2-(benzenesulfonyl)pyrazol-3-yl]-3-phenyl-1,2-oxazole
PubChem CID2745623
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC Name5-[2-(benzenesulfonyl)pyrazol-3-yl]-3-phenyl-1,2-oxazole
SMILESO=S(=O)(c1ccccc1)n1nccc1-c1cc(-c2ccccc2)no1
InChIInChI=1S/C18H13N3O3S/c22-25(23,15-9-5-2-6-10-15)21-17(11-12-19-21)18-13-16(20-24-18)14-7-3-1-4-8-14/h1-13H
InChIKeyIJUMAJAGSLYUAO-UHFFFAOYSA-N
XLogP3.44
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-5-(1H-pyrazol-3-yl)isoxazole
CID 24764436
SF-11
CID 2745583
3-(4-chlorophenyl)-4-{1-[(4-chlorophenyl)sulfonyl]-1H-pyrazol-5-yl}-5-methylisoxazole
CID 2745582
3-(4-chlorophenyl)-5-methyl-4-(1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1H-pyrazol-5-yl)isoxazole
CID 2745598
5-methyl-4-{1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-5-yl}-3-phenylisoxazole
CID 2745600
4-{1-[(4-chlorophenyl)sulfonyl]-1H-pyrazol-5-yl}-5-methyl-3-phenylisoxazole
CID 2745601
3-(4-chlorophenyl)-5-methyl-4-(1-tosyl-1H-pyrazol-3-yl)isoxazole
CID 53239838
3-(4-fluorophenyl)-5-methyl-4-(1-tosyl-1H-pyrazol-3-yl)isoxazole
CID 53384692
Ethyl 5-[2-[3-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,2-oxazole-3-carboxylate
CID 2745384
3-Phenyl-5-[2-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,2-oxazole
CID 2745625
5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide
CID 2738186
3-(4-Chlorophenyl)-5-methyl-4-[1-[2-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,2-oxazole
CID 53384687

Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzenesulfonyl)pyrazol-3-yl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-[2-(benzenesulfonyl)pyrazol-3-yl]-3-phenyl-1,2-oxazole (CID 2745623) is 5-[2-(benzenesulfonyl)pyrazol-3-yl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-[2-(benzenesulfonyl)pyrazol-3-yl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-[2-(benzenesulfonyl)pyrazol-3-yl]-3-phenyl-1,2-oxazole is O=S(=O)(c1ccccc1)n1nccc1-c1cc(-c2ccccc2)no1.
What is the InChIKey of 5-[2-(benzenesulfonyl)pyrazol-3-yl]-3-phenyl-1,2-oxazole?
The InChIKey is IJUMAJAGSLYUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c22-25(23,15-9-5-2-6-10-15)21-17(11-12-19-21)18-13-16(20-24-18)14-7-3-1-4-8-14/h1-13H.
What are the key properties of 5-[2-(benzenesulfonyl)pyrazol-3-yl]-3-phenyl-1,2-oxazole?
5-[2-(benzenesulfonyl)pyrazol-3-yl]-3-phenyl-1,2-oxazole has a molecular weight of 351.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzenesulfonyl)pyrazol-3-yl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 2745623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).