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

C8H12N2OS — CID 126996164

IUPAC2-(2-methylcyclopropyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
SMILESCSCc1nnc(C2CC2C)o1
InChIInChI=1S/C8H12N2OS/c1-5-3-6(5)8-10-9-7(11-8)4-12-2/h5-6H,3-4H2,1-2H3
InChIKeyHEKQEKWGBOOPNH-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.06
Rot. Bonds3

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

2-(2-methylcyclopropyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole (PubChem CID 126996164) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-(2-methylcyclopropyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methylcyclopropyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
PubChem CID126996164
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-(2-methylcyclopropyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
SMILESCSCc1nnc(C2CC2C)o1
InChIInChI=1S/C8H12N2OS/c1-5-3-6(5)8-10-9-7(11-8)4-12-2/h5-6H,3-4H2,1-2H3
InChIKeyHEKQEKWGBOOPNH-UHFFFAOYSA-N
XLogP2.06
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-5-(2-methylcyclopropyl)-1,3,4-oxadiazole
CID 130621431
2-(methylsulfanylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 130858001
N-methyl-1-[5-(2-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62859270
N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 107183179
3-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107183207
ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 178170665
N-[[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 114241670
2-[chloro(phenyl)methyl]-5-(2-methylcyclopropyl)-1,3,4-oxadiazole
CID 43164952
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide
CID 167268092
3-methyl-4-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 107181461
N-[2-[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 114241677
tert-butyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 47132283

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclopropyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methylcyclopropyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole (CID 126996164) is 2-(2-methylcyclopropyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methylcyclopropyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methylcyclopropyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole is CSCc1nnc(C2CC2C)o1.
What is the InChIKey of 2-(2-methylcyclopropyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole?
The InChIKey is HEKQEKWGBOOPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-5-3-6(5)8-10-9-7(11-8)4-12-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(2-methylcyclopropyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole?
2-(2-methylcyclopropyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole has a molecular weight of 184.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclopropyl)-5-(methylsulfanylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 126996164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).