3-chloro-5-(1-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole

C6H9ClN2OS — CID 130485969

IUPAC3-chloro-5-(1-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole
SMILESCSCC(C)c1nc(Cl)no1
InChIInChI=1S/C6H9ClN2OS/c1-4(3-11-2)5-8-6(7)9-10-5/h4H,3H2,1-2H3
InChIKeyDEXBWFOMABGTRK-UHFFFAOYSA-N
MW192.67 g/mol
LogP2.19
Rot. Bonds3

About 3-chloro-5-(1-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole

3-chloro-5-(1-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole (PubChem CID 130485969) has the molecular formula C6H9ClN2OS and a molecular weight of 192.67 g/mol. Its IUPAC name is 3-chloro-5-(1-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-(1-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole
PubChem CID130485969
Molecular FormulaC6H9ClN2OS
Molecular Weight192.67 g/mol
Exact Mass192.01
IUPAC Name3-chloro-5-(1-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole
SMILESCSCC(C)c1nc(Cl)no1
InChIInChI=1S/C6H9ClN2OS/c1-4(3-11-2)5-8-6(7)9-10-5/h4H,3H2,1-2H3
InChIKeyDEXBWFOMABGTRK-UHFFFAOYSA-N
XLogP2.19
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.67
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-5-(1-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-chloro-5-propan-2-yl-1,2,4-oxadiazole
CID 51000283
3-(6-bromo-5-methoxy-2-pyridinyl)-5-(1-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole
CID 136572085
3-(3-bromo-4-pyridinyl)-5-(1-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole
CID 126834223
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80540079
N-ethyl-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352034
5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 90326086
(1S)-3-methyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104880721
3-methyl-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222613
5-[(2S)-butan-2-yl]-3-ethyl-1,2,4-oxadiazole
CID 143984841
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62676276
2-(1-methylsulfanylpropan-2-yl)pyrimidine
CID 66920835
2-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 55105697

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-(1-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole (CID 130485969) is 3-chloro-5-(1-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-(1-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-(1-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole is CSCC(C)c1nc(Cl)no1.
What is the InChIKey of 3-chloro-5-(1-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is DEXBWFOMABGTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2OS/c1-4(3-11-2)5-8-6(7)9-10-5/h4H,3H2,1-2H3.
What are the key properties of 3-chloro-5-(1-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole?
3-chloro-5-(1-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 192.67 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 130485969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).