5-[(1S)-1-[(E)-3-phenylprop-2-enyl]sulfonylethyl]-3-propan-2-yl-1,2,4-oxadiazole

C16H20N2O3S — CID 94193601

IUPAC5-[(1S)-1-[(E)-3-phenylprop-2-enyl]sulfonylethyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc([C@H](C)S(=O)(=O)C/C=C/c2ccccc2)n1
InChIInChI=1S/C16H20N2O3S/c1-12(2)15-17-16(21-18-15)13(3)22(19,20)11-7-10-14-8-5-4-6-9-14/h4-10,12-13H,11H2,1-3H3/b10-7+/t13-/m0/s1
InChIKeyOSKUYHUAXVODDO-RSPDNQDQSA-N
MW320.41 g/mol
LogP3.38
Rot. Bonds6

About 5-[(1S)-1-[(E)-3-phenylprop-2-enyl]sulfonylethyl]-3-propan-2-yl-1,2,4-oxadiazole

5-[(1S)-1-[(E)-3-phenylprop-2-enyl]sulfonylethyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 94193601) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 5-[(1S)-1-[(E)-3-phenylprop-2-enyl]sulfonylethyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-1-[(E)-3-phenylprop-2-enyl]sulfonylethyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID94193601
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name5-[(1S)-1-[(E)-3-phenylprop-2-enyl]sulfonylethyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc([C@H](C)S(=O)(=O)C/C=C/c2ccccc2)n1
InChIInChI=1S/C16H20N2O3S/c1-12(2)15-17-16(21-18-15)13(3)22(19,20)11-7-10-14-8-5-4-6-9-14/h4-10,12-13H,11H2,1-3H3/b10-7+/t13-/m0/s1
InChIKeyOSKUYHUAXVODDO-RSPDNQDQSA-N
XLogP3.38
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(1S)-1-[(E)-3-phenylprop-2-enyl]sulfonylethyl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

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5-(1-benzylsulfonylethyl)-3-methyl-1,2,4-oxadiazole
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4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylphenol
CID 94219172
dimethyl-phenyl-[(E)-3-phenylprop-2-enyl]-λ4-sulfane
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(E)-3-phenylprop-2-ene-1-sulfonyl fluoride
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(E)-3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]prop-2-enamide
CID 49033078
N-methyl-N-(2-phenylethyl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
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5-[(1S)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 94828409
N-cyclopropyl-2-(3-phenylprop-2-enylsulfonyl)propanamide
CID 131962739
4-phenyl-2-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylimidazol-1-amine
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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[(E)-3-phenylprop-2-enyl]sulfonylethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-1-[(E)-3-phenylprop-2-enyl]sulfonylethyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 94193601) is 5-[(1S)-1-[(E)-3-phenylprop-2-enyl]sulfonylethyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-1-[(E)-3-phenylprop-2-enyl]sulfonylethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-1-[(E)-3-phenylprop-2-enyl]sulfonylethyl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc([C@H](C)S(=O)(=O)C/C=C/c2ccccc2)n1.
What is the InChIKey of 5-[(1S)-1-[(E)-3-phenylprop-2-enyl]sulfonylethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is OSKUYHUAXVODDO-RSPDNQDQSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-12(2)15-17-16(21-18-15)13(3)22(19,20)11-7-10-14-8-5-4-6-9-14/h4-10,12-13H,11H2,1-3H3/b10-7+/t13-/m0/s1.
What are the key properties of 5-[(1S)-1-[(E)-3-phenylprop-2-enyl]sulfonylethyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(1S)-1-[(E)-3-phenylprop-2-enyl]sulfonylethyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 320.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[(E)-3-phenylprop-2-enyl]sulfonylethyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 94193601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).