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

C17H24N2O3S — CID 94092458

IUPAC3-propan-2-yl-5-[(1R)-1-[(4-propan-2-ylphenyl)methylsulfonyl]ethyl]-1,2,4-oxadiazole
SMILESCC(C)c1ccc(CS(=O)(=O)[C@H](C)c2nc(C(C)C)no2)cc1
InChIInChI=1S/C17H24N2O3S/c1-11(2)15-8-6-14(7-9-15)10-23(20,21)13(5)17-18-16(12(3)4)19-22-17/h6-9,11-13H,10H2,1-5H3/t13-/m1/s1
InChIKeyVVNHRDNKMMZJEQ-CYBMUJFWSA-N
MW336.46 g/mol
LogP3.99
Rot. Bonds6

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

3-propan-2-yl-5-[(1R)-1-[(4-propan-2-ylphenyl)methylsulfonyl]ethyl]-1,2,4-oxadiazole (PubChem CID 94092458) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 3-propan-2-yl-5-[(1R)-1-[(4-propan-2-ylphenyl)methylsulfonyl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[(1R)-1-[(4-propan-2-ylphenyl)methylsulfonyl]ethyl]-1,2,4-oxadiazole
PubChem CID94092458
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name3-propan-2-yl-5-[(1R)-1-[(4-propan-2-ylphenyl)methylsulfonyl]ethyl]-1,2,4-oxadiazole
SMILESCC(C)c1ccc(CS(=O)(=O)[C@H](C)c2nc(C(C)C)no2)cc1
InChIInChI=1S/C17H24N2O3S/c1-11(2)15-8-6-14(7-9-15)10-23(20,21)13(5)17-18-16(12(3)4)19-22-17/h6-9,11-13H,10H2,1-5H3/t13-/m1/s1
InChIKeyVVNHRDNKMMZJEQ-CYBMUJFWSA-N
XLogP3.99
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-propan-2-yl-5-[(1R)-1-[(4-propan-2-ylphenyl)methylsulfonyl]ethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]phenyl]methanol
CID 110005733
5-(1-benzylsulfonylethyl)-3-methyl-1,2,4-oxadiazole
CID 47206683
5-[(1R)-1-[(2-ethoxyphenyl)methylsulfonyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 94092462
5-[(1S)-1-[(E)-3-phenylprop-2-enyl]sulfonylethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 94193601
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
5-[(1R)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 95154621
5-[(1S)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 94828409
(4-propan-2-ylphenyl)methanesulfonyl chloride
CID 16776213
N-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 94113861
3-butyl-5-[(1R)-1-[(3-methylphenyl)methylsulfonyl]ethyl]-1,2,4-oxadiazole
CID 95047743
molecular hydrogen;(4-propan-2-ylphenyl)methanesulfonamide
CID 142616935

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[(1R)-1-[(4-propan-2-ylphenyl)methylsulfonyl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-propan-2-yl-5-[(1R)-1-[(4-propan-2-ylphenyl)methylsulfonyl]ethyl]-1,2,4-oxadiazole (CID 94092458) is 3-propan-2-yl-5-[(1R)-1-[(4-propan-2-ylphenyl)methylsulfonyl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-propan-2-yl-5-[(1R)-1-[(4-propan-2-ylphenyl)methylsulfonyl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-propan-2-yl-5-[(1R)-1-[(4-propan-2-ylphenyl)methylsulfonyl]ethyl]-1,2,4-oxadiazole is CC(C)c1ccc(CS(=O)(=O)[C@H](C)c2nc(C(C)C)no2)cc1.
What is the InChIKey of 3-propan-2-yl-5-[(1R)-1-[(4-propan-2-ylphenyl)methylsulfonyl]ethyl]-1,2,4-oxadiazole?
The InChIKey is VVNHRDNKMMZJEQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-11(2)15-8-6-14(7-9-15)10-23(20,21)13(5)17-18-16(12(3)4)19-22-17/h6-9,11-13H,10H2,1-5H3/t13-/m1/s1.
What are the key properties of 3-propan-2-yl-5-[(1R)-1-[(4-propan-2-ylphenyl)methylsulfonyl]ethyl]-1,2,4-oxadiazole?
3-propan-2-yl-5-[(1R)-1-[(4-propan-2-ylphenyl)methylsulfonyl]ethyl]-1,2,4-oxadiazole has a molecular weight of 336.46 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[(1R)-1-[(4-propan-2-ylphenyl)methylsulfonyl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 94092458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).