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

C20H16FN3O3S — CID 53384692

IUPAC3-(4-fluorophenyl)-5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-1,2-oxazole
SMILESCc1ccc(S(=O)(=O)n2ccc(-c3c(-c4ccc(F)cc4)noc3C)n2)cc1
InChIInChI=1S/C20H16FN3O3S/c1-13-3-9-17(10-4-13)28(25,26)24-12-11-18(22-24)19-14(2)27-23-20(19)15-5-7-16(21)8-6-15/h3-12H,1-2H3
InChIKeyHTPZGSABLDKTQO-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.20
Rot. Bonds4

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

3-(4-fluorophenyl)-5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-1,2-oxazole (PubChem CID 53384692) has the molecular formula C20H16FN3O3S and a molecular weight of 397.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-1,2-oxazole
PubChem CID53384692
Molecular FormulaC20H16FN3O3S
Molecular Weight397.43 g/mol
Exact Mass397.09
IUPAC Name3-(4-fluorophenyl)-5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-1,2-oxazole
SMILESCc1ccc(S(=O)(=O)n2ccc(-c3c(-c4ccc(F)cc4)noc3C)n2)cc1
InChIInChI=1S/C20H16FN3O3S/c1-13-3-9-17(10-4-13)28(25,26)24-12-11-18(22-24)19-14(2)27-23-20(19)15-5-7-16(21)8-6-15/h3-12H,1-2H3
InChIKeyHTPZGSABLDKTQO-UHFFFAOYSA-N
XLogP4.20
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-1,2-oxazole (CID 53384692) is 3-(4-fluorophenyl)-5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-1,2-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-1,2-oxazole is Cc1ccc(S(=O)(=O)n2ccc(-c3c(-c4ccc(F)cc4)noc3C)n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-1,2-oxazole?
The InChIKey is HTPZGSABLDKTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3S/c1-13-3-9-17(10-4-13)28(25,26)24-12-11-18(22-24)19-14(2)27-23-20(19)15-5-7-16(21)8-6-15/h3-12H,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-1,2-oxazole?
3-(4-fluorophenyl)-5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-1,2-oxazole has a molecular weight of 397.43 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-4-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-1,2-oxazole is sourced from PubChem (CID 53384692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).