5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole

C15H20N2O3S — CID 52623294

IUPAC5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CS(=O)(=O)c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H20N2O3S/c1-4-5-14-16-15(20-17-14)10-21(18,19)13-8-6-12(7-9-13)11(2)3/h6-9,11H,4-5,10H2,1-3H3
InChIKeySBMYXINSXYUGCP-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.12
Rot. Bonds6

About 5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole

5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 52623294) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole
PubChem CID52623294
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CS(=O)(=O)c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H20N2O3S/c1-4-5-14-16-15(20-17-14)10-21(18,19)13-8-6-12(7-9-13)11(2)3/h6-9,11H,4-5,10H2,1-3H3
InChIKeySBMYXINSXYUGCP-UHFFFAOYSA-N
XLogP3.12
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole (CID 52623294) is 5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(CS(=O)(=O)c2ccc(C(C)C)cc2)n1.
What is the InChIKey of 5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is SBMYXINSXYUGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-4-5-14-16-15(20-17-14)10-21(18,19)13-8-6-12(7-9-13)11(2)3/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of 5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole?
5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 308.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 52623294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).