2-[4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazol-3-yl]-5-methyl-1,3,4-oxadiazole

C19H15N5O4S — CID 166175638

IUPAC2-[4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazol-3-yl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1ccc(S(=O)(=O)n2c3ccccc3n3ncc(-c4nnc(C)o4)c23)cc1
InChIInChI=1S/C19H15N5O4S/c1-12-21-22-18(28-12)15-11-20-23-16-5-3-4-6-17(16)24(19(15)23)29(25,26)14-9-7-13(27-2)8-10-14/h3-11H,1-2H3
InChIKeyJMGPERGREHTZDA-UHFFFAOYSA-N
MW409.43 g/mol
LogP2.89
Rot. Bonds4

About 2-[4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazol-3-yl]-5-methyl-1,3,4-oxadiazole

2-[4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazol-3-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 166175638) has the molecular formula C19H15N5O4S and a molecular weight of 409.43 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazol-3-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazol-3-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID166175638
Molecular FormulaC19H15N5O4S
Molecular Weight409.43 g/mol
Exact Mass409.08
IUPAC Name2-[4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazol-3-yl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1ccc(S(=O)(=O)n2c3ccccc3n3ncc(-c4nnc(C)o4)c23)cc1
InChIInChI=1S/C19H15N5O4S/c1-12-21-22-18(28-12)15-11-20-23-16-5-3-4-6-17(16)24(19(15)23)29(25,26)14-9-7-13(27-2)8-10-14/h3-11H,1-2H3
InChIKeyJMGPERGREHTZDA-UHFFFAOYSA-N
XLogP2.89
TPSA104.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl 4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazole-3-carboxylate
CID 166175673
2-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-5-methyl-1,3,4-oxadiazole
CID 70677889
1-(4-methoxyphenyl)sulfonyl-3-methylindole
CID 66853930
2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole
CID 102128726
3,5-bis(1,5-dimethylpyrazol-4-yl)-1-(4-methoxyphenyl)sulfonylpyrazole
CID 19588102
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827677
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
1-(4-methoxyphenyl)sulfonylpyrazol-3-amine
CID 110867998
1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
CID 871651
1-[1-(4-methoxyphenyl)sulfonyl-2-methylindol-3-yl]sulfanyl-N,N-dimethylethanamine
CID 69407821
8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 147806045
2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole
CID 162398288

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazol-3-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazol-3-yl]-5-methyl-1,3,4-oxadiazole (CID 166175638) is 2-[4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazol-3-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazol-3-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazol-3-yl]-5-methyl-1,3,4-oxadiazole is COc1ccc(S(=O)(=O)n2c3ccccc3n3ncc(-c4nnc(C)o4)c23)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazol-3-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is JMGPERGREHTZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4S/c1-12-21-22-18(28-12)15-11-20-23-16-5-3-4-6-17(16)24(19(15)23)29(25,26)14-9-7-13(27-2)8-10-14/h3-11H,1-2H3.
What are the key properties of 2-[4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazol-3-yl]-5-methyl-1,3,4-oxadiazole?
2-[4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazol-3-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 409.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)sulfonylpyrazolo[1,5-a]benzimidazol-3-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 166175638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).