5-(1H-indazol-6-ylmethyl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole

C17H14N4O3S — CID 136539318

IUPAC5-(1H-indazol-6-ylmethyl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)c1ccc(-c2noc(Cc3ccc4cn[nH]c4c3)n2)cc1
InChIInChI=1S/C17H14N4O3S/c1-25(22,23)14-6-4-12(5-7-14)17-19-16(24-21-17)9-11-2-3-13-10-18-20-15(13)8-11/h2-8,10H,9H2,1H3,(H,18,20)
InChIKeyXTZRLEGULXZYJA-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.61
Rot. Bonds4

About 5-(1H-indazol-6-ylmethyl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole

5-(1H-indazol-6-ylmethyl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole (PubChem CID 136539318) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is 5-(1H-indazol-6-ylmethyl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1H-indazol-6-ylmethyl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole
PubChem CID136539318
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC Name5-(1H-indazol-6-ylmethyl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)c1ccc(-c2noc(Cc3ccc4cn[nH]c4c3)n2)cc1
InChIInChI=1S/C17H14N4O3S/c1-25(22,23)14-6-4-12(5-7-14)17-19-16(24-21-17)9-11-2-3-13-10-18-20-15(13)8-11/h2-8,10H,9H2,1H3,(H,18,20)
InChIKeyXTZRLEGULXZYJA-UHFFFAOYSA-N
XLogP2.61
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methylphenyl)-5-[(4-methylsulfonylphenoxy)methyl]-1,2,4-oxadiazole
CID 78803769
5-[(4-methylphenyl)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075221
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1H-indazole-6-carboxylate
CID 33060656
N-[[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide
CID 19023013
1-[4-[5-(1H-indazol-6-ylmethyl)-1H-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine
CID 167807562
3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895143
5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 895193
N-[4-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
CID 50823187
5-[(4-methylphenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole
CID 53075347
5-(2,3-dihydro-1H-indol-6-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 166355554
N-[3-(1H-indazol-6-ylmethylamino)propyl]methanesulfonamide
CID 119109884
[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
CID 19023004

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-6-ylmethyl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1H-indazol-6-ylmethyl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole (CID 136539318) is 5-(1H-indazol-6-ylmethyl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1H-indazol-6-ylmethyl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1H-indazol-6-ylmethyl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole is CS(=O)(=O)c1ccc(-c2noc(Cc3ccc4cn[nH]c4c3)n2)cc1.
What is the InChIKey of 5-(1H-indazol-6-ylmethyl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole?
The InChIKey is XTZRLEGULXZYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S/c1-25(22,23)14-6-4-12(5-7-14)17-19-16(24-21-17)9-11-2-3-13-10-18-20-15(13)8-11/h2-8,10H,9H2,1H3,(H,18,20).
What are the key properties of 5-(1H-indazol-6-ylmethyl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole?
5-(1H-indazol-6-ylmethyl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole has a molecular weight of 354.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-6-ylmethyl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 136539318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).