5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-3-phenyl-1,2-oxazole

C20H17N3O3S — CID 53384691

IUPAC5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-3-phenyl-1,2-oxazole
SMILESCc1ccc(S(=O)(=O)n2ccc(-c3c(-c4ccccc4)noc3C)n2)cc1
InChIInChI=1S/C20H17N3O3S/c1-14-8-10-17(11-9-14)27(24,25)23-13-12-18(21-23)19-15(2)26-22-20(19)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyZTHOOTRBEXIZBW-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.06
Rot. Bonds4

About 5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-3-phenyl-1,2-oxazole

5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-3-phenyl-1,2-oxazole (PubChem CID 53384691) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-3-phenyl-1,2-oxazole
PubChem CID53384691
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-3-phenyl-1,2-oxazole
SMILESCc1ccc(S(=O)(=O)n2ccc(-c3c(-c4ccccc4)noc3C)n2)cc1
InChIInChI=1S/C20H17N3O3S/c1-14-8-10-17(11-9-14)27(24,25)23-13-12-18(21-23)19-15(2)26-22-20(19)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyZTHOOTRBEXIZBW-UHFFFAOYSA-N
XLogP4.06
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-3-phenyl-1,2-oxazole (CID 53384691) is 5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-3-phenyl-1,2-oxazole is Cc1ccc(S(=O)(=O)n2ccc(-c3c(-c4ccccc4)noc3C)n2)cc1.
What is the InChIKey of 5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-3-phenyl-1,2-oxazole?
The InChIKey is ZTHOOTRBEXIZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-14-8-10-17(11-9-14)27(24,25)23-13-12-18(21-23)19-15(2)26-22-20(19)16-6-4-3-5-7-16/h3-13H,1-2H3.
What are the key properties of 5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-3-phenyl-1,2-oxazole?
5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-3-phenyl-1,2-oxazole has a molecular weight of 379.44 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 53384691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).