5-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylmethyl]-3-ethyl-1,2,4-oxadiazole

C12H16N4O4S — CID 95152762

IUPAC5-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylmethyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(CS(=O)(=O)[C@@H](C)c2nc(C3CC3)no2)n1
InChIInChI=1S/C12H16N4O4S/c1-3-9-13-10(19-15-9)6-21(17,18)7(2)12-14-11(16-20-12)8-4-5-8/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyWGGOGHOPXCNUCF-ZETCQYMHSA-N
MW312.35 g/mol
LogP1.57
Rot. Bonds6

About 5-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylmethyl]-3-ethyl-1,2,4-oxadiazole

5-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylmethyl]-3-ethyl-1,2,4-oxadiazole (PubChem CID 95152762) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is 5-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylmethyl]-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylmethyl]-3-ethyl-1,2,4-oxadiazole
PubChem CID95152762
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Name5-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylmethyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(CS(=O)(=O)[C@@H](C)c2nc(C3CC3)no2)n1
InChIInChI=1S/C12H16N4O4S/c1-3-9-13-10(19-15-9)6-21(17,18)7(2)12-14-11(16-20-12)8-4-5-8/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyWGGOGHOPXCNUCF-ZETCQYMHSA-N
XLogP1.57
TPSA111.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylmethyl]-3-ethyl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 47062167
3-ethyl-5-(1-methylsulfonylethyl)-1,2,4-oxadiazole
CID 131201821
(2R)-N-cyclopropyl-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide
CID 51947102
(3S)-1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 98772573
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine
CID 59361300
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
CID 63347961
2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 64985592
3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole
CID 58051730
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346025
3-butyl-5-(1-phenylethylsulfonylmethyl)-1,2,4-oxadiazole
CID 78876855
2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 63561054
(1R)-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915347

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylmethyl]-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylmethyl]-3-ethyl-1,2,4-oxadiazole (CID 95152762) is 5-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylmethyl]-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylmethyl]-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylmethyl]-3-ethyl-1,2,4-oxadiazole is CCc1noc(CS(=O)(=O)[C@@H](C)c2nc(C3CC3)no2)n1.
What is the InChIKey of 5-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylmethyl]-3-ethyl-1,2,4-oxadiazole?
The InChIKey is WGGOGHOPXCNUCF-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H16N4O4S/c1-3-9-13-10(19-15-9)6-21(17,18)7(2)12-14-11(16-20-12)8-4-5-8/h7-8H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of 5-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylmethyl]-3-ethyl-1,2,4-oxadiazole?
5-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylmethyl]-3-ethyl-1,2,4-oxadiazole has a molecular weight of 312.35 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylmethyl]-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 95152762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).