3-methyl-5-[1-[2-(4-methylphenyl)ethenylsulfonyl]azetidin-3-yl]-1,2,4-oxadiazole

C15H17N3O3S — CID 71960994

IUPAC3-methyl-5-[1-[2-(4-methylphenyl)ethenylsulfonyl]azetidin-3-yl]-1,2,4-oxadiazole
SMILESCc1ccc(C=CS(=O)(=O)N2CC(c3nc(C)no3)C2)cc1
InChIInChI=1S/C15H17N3O3S/c1-11-3-5-13(6-4-11)7-8-22(19,20)18-9-14(10-18)15-16-12(2)17-21-15/h3-8,14H,9-10H2,1-2H3
InChIKeyMEONZQMRQSPNPZ-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.09
Rot. Bonds4

About 3-methyl-5-[1-[2-(4-methylphenyl)ethenylsulfonyl]azetidin-3-yl]-1,2,4-oxadiazole

3-methyl-5-[1-[2-(4-methylphenyl)ethenylsulfonyl]azetidin-3-yl]-1,2,4-oxadiazole (PubChem CID 71960994) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-methyl-5-[1-[2-(4-methylphenyl)ethenylsulfonyl]azetidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[1-[2-(4-methylphenyl)ethenylsulfonyl]azetidin-3-yl]-1,2,4-oxadiazole
PubChem CID71960994
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name3-methyl-5-[1-[2-(4-methylphenyl)ethenylsulfonyl]azetidin-3-yl]-1,2,4-oxadiazole
SMILESCc1ccc(C=CS(=O)(=O)N2CC(c3nc(C)no3)C2)cc1
InChIInChI=1S/C15H17N3O3S/c1-11-3-5-13(6-4-11)7-8-22(19,20)18-9-14(10-18)15-16-12(2)17-21-15/h3-8,14H,9-10H2,1-2H3
InChIKeyMEONZQMRQSPNPZ-UHFFFAOYSA-N
XLogP2.09
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 90564387
5-[1-[(E)-2-phenylethenyl]sulfonylazetidin-3-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 71783763
2-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-4-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 121117192
3-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159635
(E)-1-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-(4-methylphenyl)but-3-en-1-one
CID 128966039
3-(3-methylphenyl)-5-[1-(4-methylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 71451181
(4R)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 51894123
(E)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 51984699
(1R,5S)-8-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-3-oxa-8-azabicyclo[3.2.1]octane
CID 95986010
7,7-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-6,8-dioxa-2-azaspiro[3.5]nonane
CID 71789665
1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-(triazol-1-yl)piperidine
CID 121151438
4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-2-one
CID 47064565

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-[2-(4-methylphenyl)ethenylsulfonyl]azetidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[1-[2-(4-methylphenyl)ethenylsulfonyl]azetidin-3-yl]-1,2,4-oxadiazole (CID 71960994) is 3-methyl-5-[1-[2-(4-methylphenyl)ethenylsulfonyl]azetidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[1-[2-(4-methylphenyl)ethenylsulfonyl]azetidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[1-[2-(4-methylphenyl)ethenylsulfonyl]azetidin-3-yl]-1,2,4-oxadiazole is Cc1ccc(C=CS(=O)(=O)N2CC(c3nc(C)no3)C2)cc1.
What is the InChIKey of 3-methyl-5-[1-[2-(4-methylphenyl)ethenylsulfonyl]azetidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is MEONZQMRQSPNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-11-3-5-13(6-4-11)7-8-22(19,20)18-9-14(10-18)15-16-12(2)17-21-15/h3-8,14H,9-10H2,1-2H3.
What are the key properties of 3-methyl-5-[1-[2-(4-methylphenyl)ethenylsulfonyl]azetidin-3-yl]-1,2,4-oxadiazole?
3-methyl-5-[1-[2-(4-methylphenyl)ethenylsulfonyl]azetidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 319.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-[2-(4-methylphenyl)ethenylsulfonyl]azetidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 71960994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).