4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylphenol

C13H16N2O4S — CID 94219172

IUPAC4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylphenol
SMILESCC(C)c1noc([C@@H](C)S(=O)(=O)c2ccc(O)cc2)n1
InChIInChI=1S/C13H16N2O4S/c1-8(2)12-14-13(19-15-12)9(3)20(17,18)11-6-4-10(16)5-7-11/h4-9,16H,1-3H3/t9-/m1/s1
InChIKeyDEPSZPLJALSYCI-SECBINFHSA-N
MW296.35 g/mol
LogP2.43
Rot. Bonds4

About 4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylphenol

4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylphenol (PubChem CID 94219172) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylphenol.

Molecular Properties

Compound Name4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylphenol
PubChem CID94219172
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylphenol
SMILESCC(C)c1noc([C@@H](C)S(=O)(=O)c2ccc(O)cc2)n1
InChIInChI=1S/C13H16N2O4S/c1-8(2)12-14-13(19-15-12)9(3)20(17,18)11-6-4-10(16)5-7-11/h4-9,16H,1-3H3/t9-/m1/s1
InChIKeyDEPSZPLJALSYCI-SECBINFHSA-N
XLogP2.43
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylphenol
CID 94219173
3-propan-2-yl-5-[(1R)-1-[(4-propan-2-ylphenyl)methylsulfonyl]ethyl]-1,2,4-oxadiazole
CID 94092458
1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104521857
5-[(1S)-1-[(E)-3-phenylprop-2-enyl]sulfonylethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 94193601
5-[(1R)-1-[(2-ethoxyphenyl)methylsulfonyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 94092462
2-amino-5-hydroxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 131921480
4-[1-(benzenesulfonyl)ethyl]phenol
CID 44605384
2-methylsulfonyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 83290514
1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 121098614
4-ethoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride
CID 43866414
N-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 94113861
3-[(1S)-1-(benzenesulfonyl)ethyl]-5-phenyl-1,2,4-oxadiazole
CID 99841990

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylphenol?
The IUPAC name of 4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylphenol (CID 94219172) is 4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylphenol.
What is the SMILES notation for 4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylphenol?
The canonical SMILES for 4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylphenol is CC(C)c1noc([C@@H](C)S(=O)(=O)c2ccc(O)cc2)n1.
What is the InChIKey of 4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylphenol?
The InChIKey is DEPSZPLJALSYCI-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-8(2)12-14-13(19-15-12)9(3)20(17,18)11-6-4-10(16)5-7-11/h4-9,16H,1-3H3/t9-/m1/s1.
What are the key properties of 4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylphenol?
4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylphenol has a molecular weight of 296.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylphenol is sourced from PubChem (CID 94219172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).