3-cyclopropyl-5-(2-phenylethylsulfonylmethyl)-1,2,4-oxadiazole

C14H16N2O3S — CID 47206842

IUPAC3-cyclopropyl-5-(2-phenylethylsulfonylmethyl)-1,2,4-oxadiazole
SMILESO=S(=O)(CCc1ccccc1)Cc1nc(C2CC2)no1
InChIInChI=1S/C14H16N2O3S/c17-20(18,9-8-11-4-2-1-3-5-11)10-13-15-14(16-19-13)12-6-7-12/h1-5,12H,6-10H2
InChIKeyFCKKIIFJSGTEAP-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.10
Rot. Bonds6

About 3-cyclopropyl-5-(2-phenylethylsulfonylmethyl)-1,2,4-oxadiazole

3-cyclopropyl-5-(2-phenylethylsulfonylmethyl)-1,2,4-oxadiazole (PubChem CID 47206842) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-cyclopropyl-5-(2-phenylethylsulfonylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(2-phenylethylsulfonylmethyl)-1,2,4-oxadiazole
PubChem CID47206842
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name3-cyclopropyl-5-(2-phenylethylsulfonylmethyl)-1,2,4-oxadiazole
SMILESO=S(=O)(CCc1ccccc1)Cc1nc(C2CC2)no1
InChIInChI=1S/C14H16N2O3S/c17-20(18,9-8-11-4-2-1-3-5-11)10-13-15-14(16-19-13)12-6-7-12/h1-5,12H,6-10H2
InChIKeyFCKKIIFJSGTEAP-UHFFFAOYSA-N
XLogP2.10
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(2-phenylethylsulfonylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-(2-phenylethylsulfonylmethyl)-1,2,4-oxadiazole (CID 47206842) is 3-cyclopropyl-5-(2-phenylethylsulfonylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(2-phenylethylsulfonylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-(2-phenylethylsulfonylmethyl)-1,2,4-oxadiazole is O=S(=O)(CCc1ccccc1)Cc1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-5-(2-phenylethylsulfonylmethyl)-1,2,4-oxadiazole?
The InChIKey is FCKKIIFJSGTEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-20(18,9-8-11-4-2-1-3-5-11)10-13-15-14(16-19-13)12-6-7-12/h1-5,12H,6-10H2.
What are the key properties of 3-cyclopropyl-5-(2-phenylethylsulfonylmethyl)-1,2,4-oxadiazole?
3-cyclopropyl-5-(2-phenylethylsulfonylmethyl)-1,2,4-oxadiazole has a molecular weight of 292.36 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(2-phenylethylsulfonylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 47206842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).