5-(4-methylsulfonylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole

C16H20N2O3S — CID 154779717

IUPAC5-(4-methylsulfonylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole
SMILESCC1(C)C(c2noc(-c3ccc(S(C)(=O)=O)cc3)n2)C1(C)C
InChIInChI=1S/C16H20N2O3S/c1-15(2)12(16(15,3)4)13-17-14(21-18-13)10-6-8-11(9-7-10)22(5,19)20/h6-9,12H,1-5H3
InChIKeyXXXCFDYBINCVQP-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.29
Rot. Bonds3

About 5-(4-methylsulfonylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole

5-(4-methylsulfonylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole (PubChem CID 154779717) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole
PubChem CID154779717
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name5-(4-methylsulfonylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole
SMILESCC1(C)C(c2noc(-c3ccc(S(C)(=O)=O)cc3)n2)C1(C)C
InChIInChI=1S/C16H20N2O3S/c1-15(2)12(16(15,3)4)13-17-14(21-18-13)10-6-8-11(9-7-10)22(5,19)20/h6-9,12H,1-5H3
InChIKeyXXXCFDYBINCVQP-UHFFFAOYSA-N
XLogP3.29
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylsulfonylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437627
5-(4-methylsulfonylphenyl)-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole
CID 136531296
3-[(4-fluorophenyl)methyl]-5-(4-methylsulfonylphenyl)-1,2,4-oxadiazole
CID 136525561
4-[3-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 130455269
5-chloro-3-(4-methylsulfonylphenyl)-1,2-oxazole
CID 70025609
4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136889877
5-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 50835872
5-(4-chlorophenyl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 53130663
3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole
CID 116868966
2-methyl-5-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 167910959
N,N-dimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
CID 120960636
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 53130632

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methylsulfonylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole (CID 154779717) is 5-(4-methylsulfonylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole is CC1(C)C(c2noc(-c3ccc(S(C)(=O)=O)cc3)n2)C1(C)C.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole?
The InChIKey is XXXCFDYBINCVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-15(2)12(16(15,3)4)13-17-14(21-18-13)10-6-8-11(9-7-10)22(5,19)20/h6-9,12H,1-5H3.
What are the key properties of 5-(4-methylsulfonylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole?
5-(4-methylsulfonylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole has a molecular weight of 320.41 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 154779717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).