5-[(1R)-1-[(2-ethoxyphenyl)methylsulfonyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole

C16H22N2O4S — CID 94092462

IUPAC5-[(1R)-1-[(2-ethoxyphenyl)methylsulfonyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCCOc1ccccc1CS(=O)(=O)[C@H](C)c1nc(C(C)C)no1
InChIInChI=1S/C16H22N2O4S/c1-5-21-14-9-7-6-8-13(14)10-23(19,20)12(4)16-17-15(11(2)3)18-22-16/h6-9,11-12H,5,10H2,1-4H3/t12-/m1/s1
InChIKeyNPXRVDWYQYKOSE-GFCCVEGCSA-N
MW338.43 g/mol
LogP3.27
Rot. Bonds7

About 5-[(1R)-1-[(2-ethoxyphenyl)methylsulfonyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole

5-[(1R)-1-[(2-ethoxyphenyl)methylsulfonyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 94092462) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 5-[(1R)-1-[(2-ethoxyphenyl)methylsulfonyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-[(2-ethoxyphenyl)methylsulfonyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID94092462
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name5-[(1R)-1-[(2-ethoxyphenyl)methylsulfonyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCCOc1ccccc1CS(=O)(=O)[C@H](C)c1nc(C(C)C)no1
InChIInChI=1S/C16H22N2O4S/c1-5-21-14-9-7-6-8-13(14)10-23(19,20)12(4)16-17-15(11(2)3)18-22-16/h6-9,11-12H,5,10H2,1-4H3/t12-/m1/s1
InChIKeyNPXRVDWYQYKOSE-GFCCVEGCSA-N
XLogP3.27
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-propan-2-yl-5-[(1R)-1-[(4-propan-2-ylphenyl)methylsulfonyl]ethyl]-1,2,4-oxadiazole
CID 94092458
5-[(1S)-1-[(E)-3-phenylprop-2-enyl]sulfonylethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 94193601
5-(1-benzylsulfonylethyl)-3-methyl-1,2,4-oxadiazole
CID 47206683
4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylphenol
CID 94219173
4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylphenol
CID 94219172
4-ethoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride
CID 43866414
(1S)-1-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-1-amine
CID 78933043
5-[(1S)-1-[(2,5-dimethylphenyl)methylsulfonyl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 94092484
5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 60721266
2-[(2-ethoxyphenyl)methylsulfonyl]-3H-imidazo[4,5-c]pyridine
CID 67907088
3-[(2-ethoxyphenyl)methylsulfonyl]-4-methyl-1,2,4-triazole
CID 47217757
5-[(1R)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 95154621

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[(2-ethoxyphenyl)methylsulfonyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-[(2-ethoxyphenyl)methylsulfonyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 94092462) is 5-[(1R)-1-[(2-ethoxyphenyl)methylsulfonyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-[(2-ethoxyphenyl)methylsulfonyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-[(2-ethoxyphenyl)methylsulfonyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole is CCOc1ccccc1CS(=O)(=O)[C@H](C)c1nc(C(C)C)no1.
What is the InChIKey of 5-[(1R)-1-[(2-ethoxyphenyl)methylsulfonyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is NPXRVDWYQYKOSE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-5-21-14-9-7-6-8-13(14)10-23(19,20)12(4)16-17-15(11(2)3)18-22-16/h6-9,11-12H,5,10H2,1-4H3/t12-/m1/s1.
What are the key properties of 5-[(1R)-1-[(2-ethoxyphenyl)methylsulfonyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(1R)-1-[(2-ethoxyphenyl)methylsulfonyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 338.43 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[(2-ethoxyphenyl)methylsulfonyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 94092462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).