5-(2-methylphenyl)-3-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-1,2,4-oxadiazole

C15H16N4O3S — CID 99841389

IUPAC5-(2-methylphenyl)-3-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-1,2,4-oxadiazole
SMILESCc1ccccc1-c1nc(CS(=O)(=O)Cc2ccnn2C)no1
InChIInChI=1S/C15H16N4O3S/c1-11-5-3-4-6-13(11)15-17-14(18-22-15)10-23(20,21)9-12-7-8-16-19(12)2/h3-8H,9-10H2,1-2H3
InChIKeyUCXLWQISMJLPEO-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.89
Rot. Bonds5

About 5-(2-methylphenyl)-3-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-1,2,4-oxadiazole

5-(2-methylphenyl)-3-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-1,2,4-oxadiazole (PubChem CID 99841389) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 5-(2-methylphenyl)-3-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylphenyl)-3-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-1,2,4-oxadiazole
PubChem CID99841389
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name5-(2-methylphenyl)-3-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-1,2,4-oxadiazole
SMILESCc1ccccc1-c1nc(CS(=O)(=O)Cc2ccnn2C)no1
InChIInChI=1S/C15H16N4O3S/c1-11-5-3-4-6-13(11)15-17-14(18-22-15)10-23(20,21)9-12-7-8-16-19(12)2/h3-8H,9-10H2,1-2H3
InChIKeyUCXLWQISMJLPEO-UHFFFAOYSA-N
XLogP1.89
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 25220757
5-(2-chlorophenyl)-3-(furan-2-ylmethylsulfonylmethyl)-1,2,4-oxadiazole
CID 2819966
5-(2-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138468
2-chloro-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 146094614
2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 27211449
5-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1,2,4-oxadiazole
CID 131114204
3-[(4-fluoro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 42880227
4-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-2-propan-2-yl-1,3-thiazole
CID 99841298
3-[(2-fluoro-5-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 42692342
N-butan-2-yl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 4998664
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 103721615
3-[(4-chloro-3-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 42692336

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-3-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylphenyl)-3-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-1,2,4-oxadiazole (CID 99841389) is 5-(2-methylphenyl)-3-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylphenyl)-3-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylphenyl)-3-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-1,2,4-oxadiazole is Cc1ccccc1-c1nc(CS(=O)(=O)Cc2ccnn2C)no1.
What is the InChIKey of 5-(2-methylphenyl)-3-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-1,2,4-oxadiazole?
The InChIKey is UCXLWQISMJLPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-11-5-3-4-6-13(11)15-17-14(18-22-15)10-23(20,21)9-12-7-8-16-19(12)2/h3-8H,9-10H2,1-2H3.
What are the key properties of 5-(2-methylphenyl)-3-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-1,2,4-oxadiazole?
5-(2-methylphenyl)-3-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-1,2,4-oxadiazole has a molecular weight of 332.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-3-[(2-methylpyrazol-3-yl)methylsulfonylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 99841389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).