2-cyclopropyl-5-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,3,4-oxadiazole

C19H24N2O4S — CID 118445043

IUPAC2-cyclopropyl-5-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,3,4-oxadiazole
SMILESCCC1(S(=O)(=O)c2cccc(C)c2)CCOC(c2nnc(C3CC3)o2)C1
InChIInChI=1S/C19H24N2O4S/c1-3-19(26(22,23)15-6-4-5-13(2)11-15)9-10-24-16(12-19)18-21-20-17(25-18)14-7-8-14/h4-6,11,14,16H,3,7-10,12H2,1-2H3
InChIKeyUEFLEDIIMDNVPE-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.73
Rot. Bonds5

About 2-cyclopropyl-5-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,3,4-oxadiazole

2-cyclopropyl-5-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,3,4-oxadiazole (PubChem CID 118445043) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,3,4-oxadiazole
PubChem CID118445043
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-cyclopropyl-5-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,3,4-oxadiazole
SMILESCCC1(S(=O)(=O)c2cccc(C)c2)CCOC(c2nnc(C3CC3)o2)C1
InChIInChI=1S/C19H24N2O4S/c1-3-19(26(22,23)15-6-4-5-13(2)11-15)9-10-24-16(12-19)18-21-20-17(25-18)14-7-8-14/h4-6,11,14,16H,3,7-10,12H2,1-2H3
InChIKeyUEFLEDIIMDNVPE-UHFFFAOYSA-N
XLogP3.73
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N'-hydroxy-4-(3-methylphenyl)sulfonyloxane-2-carboximidamide
CID 118445075
5-cyclopropyl-3-[4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]-1,2,4-oxadiazole
CID 118434450
methyl 4-ethyl-4-(3-methylphenyl)sulfonyloxane-2-carboxylate
CID 118445077
5-[4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 118434380
3-[4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]-2,6-dimethylpyridine;pyridine
CID 161034029
[1-(3-methylphenyl)sulfonylcyclopropyl]methanol
CID 115035637
(2R,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane
CID 118443624
(2S,4S)-2-(4-chlorophenyl)-4-methyl-4-(3-methylphenyl)sulfonyloxane
CID 118443628
4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane-2-carbonitrile
CID 118434249
2-cyclobutyl-5-[1-(3-methylphenyl)sulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 136542510
3-[(2S,4S)-4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-5-methylsulfonylpyridine
CID 118445029
1-butyl-5-[4-methyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-3-(trifluoromethyl)pyrazole
CID 126764384

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,3,4-oxadiazole (CID 118445043) is 2-cyclopropyl-5-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,3,4-oxadiazole is CCC1(S(=O)(=O)c2cccc(C)c2)CCOC(c2nnc(C3CC3)o2)C1.
What is the InChIKey of 2-cyclopropyl-5-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,3,4-oxadiazole?
The InChIKey is UEFLEDIIMDNVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-3-19(26(22,23)15-6-4-5-13(2)11-15)9-10-24-16(12-19)18-21-20-17(25-18)14-7-8-14/h4-6,11,14,16H,3,7-10,12H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,3,4-oxadiazole has a molecular weight of 376.48 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 118445043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).