2-benzylsulfonyl-5-methyl-1,3,4-oxadiazole

C10H10N2O3S — CID 167434648

IUPAC2-benzylsulfonyl-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(S(=O)(=O)Cc2ccccc2)o1
InChIInChI=1S/C10H10N2O3S/c1-8-11-12-10(15-8)16(13,14)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyRMJIGXWOZNHCJX-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.35
Rot. Bonds3

About 2-benzylsulfonyl-5-methyl-1,3,4-oxadiazole

2-benzylsulfonyl-5-methyl-1,3,4-oxadiazole (PubChem CID 167434648) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-benzylsulfonyl-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzylsulfonyl-5-methyl-1,3,4-oxadiazole
PubChem CID167434648
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name2-benzylsulfonyl-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(S(=O)(=O)Cc2ccccc2)o1
InChIInChI=1S/C10H10N2O3S/c1-8-11-12-10(15-8)16(13,14)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyRMJIGXWOZNHCJX-UHFFFAOYSA-N
XLogP1.35
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-benzylsulfonyl-5-methyl-1,3,4-oxadiazole (CID 167434648) is 2-benzylsulfonyl-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzylsulfonyl-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-benzylsulfonyl-5-methyl-1,3,4-oxadiazole is Cc1nnc(S(=O)(=O)Cc2ccccc2)o1.
What is the InChIKey of 2-benzylsulfonyl-5-methyl-1,3,4-oxadiazole?
The InChIKey is RMJIGXWOZNHCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-8-11-12-10(15-8)16(13,14)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 2-benzylsulfonyl-5-methyl-1,3,4-oxadiazole?
2-benzylsulfonyl-5-methyl-1,3,4-oxadiazole has a molecular weight of 238.27 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 167434648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).