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

C14H12ClN3O3S — CID 2739580

IUPAC5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]-2,4-dimethyl-1,3-oxazole
SMILESCc1nc(C)c(-c2ccn(S(=O)(=O)c3ccc(Cl)cc3)n2)o1
InChIInChI=1S/C14H12ClN3O3S/c1-9-14(21-10(2)16-9)13-7-8-18(17-13)22(19,20)12-5-3-11(15)4-6-12/h3-8H,1-2H3
InChIKeyXCIYCFKDFGMTLX-UHFFFAOYSA-N
MW337.79 g/mol
LogP3.05
Rot. Bonds3

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

5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]-2,4-dimethyl-1,3-oxazole (PubChem CID 2739580) has the molecular formula C14H12ClN3O3S and a molecular weight of 337.79 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]-2,4-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]-2,4-dimethyl-1,3-oxazole
PubChem CID2739580
Molecular FormulaC14H12ClN3O3S
Molecular Weight337.79 g/mol
Exact Mass337.03
IUPAC Name5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]-2,4-dimethyl-1,3-oxazole
SMILESCc1nc(C)c(-c2ccn(S(=O)(=O)c3ccc(Cl)cc3)n2)o1
InChIInChI=1S/C14H12ClN3O3S/c1-9-14(21-10(2)16-9)13-7-8-18(17-13)22(19,20)12-5-3-11(15)4-6-12/h3-8H,1-2H3
InChIKeyXCIYCFKDFGMTLX-UHFFFAOYSA-N
XLogP3.05
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.79
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-3-[1-(4-fluorophenyl)sulfonylpyrazol-3-yl]-2-methylimidazo[1,2-a]pyridine
CID 25023754
1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole
CID 175728995
4-(4-chlorophenyl)sulfanyl-1-(4-chlorophenyl)sulfonyl-3,5-dimethylpyrazole
CID 980507
1-(3,4-dimethylphenyl)sulfonyl-3-methylpyrazole
CID 25248891
3-methyl-1-[4-[4-(3-methylpyrazol-1-yl)sulfonylphenoxy]phenyl]sulfonylpyrazole
CID 138046155
2-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1,2,4-triazol-3-amine
CID 3287361
1-(4-methoxyphenyl)sulfonylpyrazol-3-amine
CID 110867998
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 5013931
3-[1-(4-chlorophenyl)sulfonyl-3-methylpyrazol-4-yl]-N-phenyl-1,2,4-thiadiazol-5-amine
CID 2739706
1-(4-tert-butylphenyl)sulfonylpyrazol-3-amine
CID 110868062
1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole
CID 1051125
(2-methyl-1,3-benzoxazol-6-yl) 4-chlorobenzenesulfonate
CID 110504429

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]-2,4-dimethyl-1,3-oxazole?
The IUPAC name of 5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]-2,4-dimethyl-1,3-oxazole (CID 2739580) is 5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]-2,4-dimethyl-1,3-oxazole.
What is the SMILES notation for 5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]-2,4-dimethyl-1,3-oxazole?
The canonical SMILES for 5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]-2,4-dimethyl-1,3-oxazole is Cc1nc(C)c(-c2ccn(S(=O)(=O)c3ccc(Cl)cc3)n2)o1.
What is the InChIKey of 5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]-2,4-dimethyl-1,3-oxazole?
The InChIKey is XCIYCFKDFGMTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S/c1-9-14(21-10(2)16-9)13-7-8-18(17-13)22(19,20)12-5-3-11(15)4-6-12/h3-8H,1-2H3.
What are the key properties of 5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]-2,4-dimethyl-1,3-oxazole?
5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]-2,4-dimethyl-1,3-oxazole has a molecular weight of 337.79 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]-2,4-dimethyl-1,3-oxazole is sourced from PubChem (CID 2739580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).