5-[(2R)-2-methylsulfanylpropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole

C10H16N2O2S — CID 129392990

IUPAC5-[(2R)-2-methylsulfanylpropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCS[C@H](C)Cc1nc([C@@H]2CCOC2)no1
InChIInChI=1S/C10H16N2O2S/c1-7(15-2)5-9-11-10(12-14-9)8-3-4-13-6-8/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyROJWBCQGXLQFEE-HTQZYQBOSA-N
MW228.32 g/mol
LogP1.87
Rot. Bonds4

About 5-[(2R)-2-methylsulfanylpropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole

5-[(2R)-2-methylsulfanylpropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 129392990) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 5-[(2R)-2-methylsulfanylpropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R)-2-methylsulfanylpropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID129392990
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name5-[(2R)-2-methylsulfanylpropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCS[C@H](C)Cc1nc([C@@H]2CCOC2)no1
InChIInChI=1S/C10H16N2O2S/c1-7(15-2)5-9-11-10(12-14-9)8-3-4-13-6-8/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyROJWBCQGXLQFEE-HTQZYQBOSA-N
XLogP1.87
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 65329891
1-cyclopropyl-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65329569
3-methyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65329879
2-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65330336
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 104570784
3-methyl-4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 65332440
3-[(3S)-oxolan-3-yl]-5-[3-(4-propan-2-ylphenyl)propyl]-1,2,4-oxadiazole
CID 97436367
1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65334686
5-(oxan-2-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 119163349
5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97436910
N-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 65329990
6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65330439

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-methylsulfanylpropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R)-2-methylsulfanylpropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole (CID 129392990) is 5-[(2R)-2-methylsulfanylpropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R)-2-methylsulfanylpropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R)-2-methylsulfanylpropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole is CS[C@H](C)Cc1nc([C@@H]2CCOC2)no1.
What is the InChIKey of 5-[(2R)-2-methylsulfanylpropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is ROJWBCQGXLQFEE-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7(15-2)5-9-11-10(12-14-9)8-3-4-13-6-8/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of 5-[(2R)-2-methylsulfanylpropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
5-[(2R)-2-methylsulfanylpropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 228.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-methylsulfanylpropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 129392990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).