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

C19H14ClN3O3S — CID 2745601

IUPAC4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1ccnn1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O3S/c1-13-18(19(22-26-13)14-5-3-2-4-6-14)17-11-12-21-23(17)27(24,25)16-9-7-15(20)8-10-16/h2-12H,1H3
InChIKeyFGZYOSIPQKAKJP-UHFFFAOYSA-N
MW399.86 g/mol
LogP4.40
Rot. Bonds4

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

4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole (PubChem CID 2745601) has the molecular formula C19H14ClN3O3S and a molecular weight of 399.86 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole
PubChem CID2745601
Molecular FormulaC19H14ClN3O3S
Molecular Weight399.86 g/mol
Exact Mass399.04
IUPAC Name4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1ccnn1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O3S/c1-13-18(19(22-26-13)14-5-3-2-4-6-14)17-11-12-21-23(17)27(24,25)16-9-7-15(20)8-10-16/h2-12H,1H3
InChIKeyFGZYOSIPQKAKJP-UHFFFAOYSA-N
XLogP4.40
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole?
The IUPAC name of 4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole (CID 2745601) is 4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole.
What is the SMILES notation for 4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole?
The canonical SMILES for 4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole is Cc1onc(-c2ccccc2)c1-c1ccnn1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole?
The InChIKey is FGZYOSIPQKAKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3S/c1-13-18(19(22-26-13)14-5-3-2-4-6-14)17-11-12-21-23(17)27(24,25)16-9-7-15(20)8-10-16/h2-12H,1H3.
What are the key properties of 4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole?
4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole has a molecular weight of 399.86 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-3-phenyl-1,2-oxazole is sourced from PubChem (CID 2745601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).