5-(2-methylcyclopropyl)-3-(methylsulfinylmethyl)-1,2,4-oxadiazole

C8H12N2O2S — CID 130634390

IUPAC5-(2-methylcyclopropyl)-3-(methylsulfinylmethyl)-1,2,4-oxadiazole
SMILESCC1CC1c1nc(CS(C)=O)no1
InChIInChI=1S/C8H12N2O2S/c1-5-3-6(5)8-9-7(10-12-8)4-13(2)11/h5-6H,3-4H2,1-2H3
InChIKeyYHRLHUAIWPDMTA-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.07
Rot. Bonds3

About 5-(2-methylcyclopropyl)-3-(methylsulfinylmethyl)-1,2,4-oxadiazole

5-(2-methylcyclopropyl)-3-(methylsulfinylmethyl)-1,2,4-oxadiazole (PubChem CID 130634390) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 5-(2-methylcyclopropyl)-3-(methylsulfinylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylcyclopropyl)-3-(methylsulfinylmethyl)-1,2,4-oxadiazole
PubChem CID130634390
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name5-(2-methylcyclopropyl)-3-(methylsulfinylmethyl)-1,2,4-oxadiazole
SMILESCC1CC1c1nc(CS(C)=O)no1
InChIInChI=1S/C8H12N2O2S/c1-5-3-6(5)8-9-7(10-12-8)4-13(2)11/h5-6H,3-4H2,1-2H3
InChIKeyYHRLHUAIWPDMTA-UHFFFAOYSA-N
XLogP1.07
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclohex-3-en-1-yl-3-(methylsulfinylmethyl)-1,2,4-oxadiazole
CID 146089166
5-(2-methylcyclopropyl)-3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazole
CID 119033967
2-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
CID 60791232
potassium 5-(2-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate
CID 75481336
3-(2,2-dimethylpropyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63891700
ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1,2,4-oxadiazole-3-carboxylate
CID 95380682
4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354121
3-[(2-ethylbenzimidazol-1-yl)methyl]-5-[(1R,2R)-2-methylcyclopropyl]-1,2,4-oxadiazole
CID 100695418
3-[(2-ethylbenzimidazol-1-yl)methyl]-5-[(1R,2S)-2-methylcyclopropyl]-1,2,4-oxadiazole
CID 100695399
2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 115345518
5-[(S)-cyclopropyl(phenyl)methyl]-3-[[(S)-methylsulfinyl]methyl]-1,2,4-oxadiazole
CID 125137894
3-(methoxymethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63720553

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylcyclopropyl)-3-(methylsulfinylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylcyclopropyl)-3-(methylsulfinylmethyl)-1,2,4-oxadiazole (CID 130634390) is 5-(2-methylcyclopropyl)-3-(methylsulfinylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylcyclopropyl)-3-(methylsulfinylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylcyclopropyl)-3-(methylsulfinylmethyl)-1,2,4-oxadiazole is CC1CC1c1nc(CS(C)=O)no1.
What is the InChIKey of 5-(2-methylcyclopropyl)-3-(methylsulfinylmethyl)-1,2,4-oxadiazole?
The InChIKey is YHRLHUAIWPDMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-5-3-6(5)8-9-7(10-12-8)4-13(2)11/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-(2-methylcyclopropyl)-3-(methylsulfinylmethyl)-1,2,4-oxadiazole?
5-(2-methylcyclopropyl)-3-(methylsulfinylmethyl)-1,2,4-oxadiazole has a molecular weight of 200.26 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylcyclopropyl)-3-(methylsulfinylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 130634390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).