3-[2-(1-benzylsulfonylazetidin-3-yl)oxyphenyl]-5-methyl-1,2,4-oxadiazole

C19H19N3O4S — CID 91908831

IUPAC3-[2-(1-benzylsulfonylazetidin-3-yl)oxyphenyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2ccccc2OC2CN(S(=O)(=O)Cc3ccccc3)C2)no1
InChIInChI=1S/C19H19N3O4S/c1-14-20-19(21-26-14)17-9-5-6-10-18(17)25-16-11-22(12-16)27(23,24)13-15-7-3-2-4-8-15/h2-10,16H,11-13H2,1H3
InChIKeyFTLOXGOVPHNJFP-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.64
Rot. Bonds6

About 3-[2-(1-benzylsulfonylazetidin-3-yl)oxyphenyl]-5-methyl-1,2,4-oxadiazole

3-[2-(1-benzylsulfonylazetidin-3-yl)oxyphenyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 91908831) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 3-[2-(1-benzylsulfonylazetidin-3-yl)oxyphenyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(1-benzylsulfonylazetidin-3-yl)oxyphenyl]-5-methyl-1,2,4-oxadiazole
PubChem CID91908831
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name3-[2-(1-benzylsulfonylazetidin-3-yl)oxyphenyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2ccccc2OC2CN(S(=O)(=O)Cc3ccccc3)C2)no1
InChIInChI=1S/C19H19N3O4S/c1-14-20-19(21-26-14)17-9-5-6-10-18(17)25-16-11-22(12-16)27(23,24)13-15-7-3-2-4-8-15/h2-10,16H,11-13H2,1H3
InChIKeyFTLOXGOVPHNJFP-UHFFFAOYSA-N
XLogP2.64
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-benzylsulfonylazetidin-3-yl)oxyphenyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(1-benzylsulfonylazetidin-3-yl)oxyphenyl]-5-methyl-1,2,4-oxadiazole (CID 91908831) is 3-[2-(1-benzylsulfonylazetidin-3-yl)oxyphenyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(1-benzylsulfonylazetidin-3-yl)oxyphenyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(1-benzylsulfonylazetidin-3-yl)oxyphenyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(-c2ccccc2OC2CN(S(=O)(=O)Cc3ccccc3)C2)no1.
What is the InChIKey of 3-[2-(1-benzylsulfonylazetidin-3-yl)oxyphenyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is FTLOXGOVPHNJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-14-20-19(21-26-14)17-9-5-6-10-18(17)25-16-11-22(12-16)27(23,24)13-15-7-3-2-4-8-15/h2-10,16H,11-13H2,1H3.
What are the key properties of 3-[2-(1-benzylsulfonylazetidin-3-yl)oxyphenyl]-5-methyl-1,2,4-oxadiazole?
3-[2-(1-benzylsulfonylazetidin-3-yl)oxyphenyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 385.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-benzylsulfonylazetidin-3-yl)oxyphenyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 91908831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).