3-(2-methoxyethyl)-5-[(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole

C13H19N5O2S — CID 118769492

IUPAC3-(2-methoxyethyl)-5-[(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCOCCc1noc([C@@H]2CCCN2Cc2nnc(C)s2)n1
InChIInChI=1S/C13H19N5O2S/c1-9-15-16-12(21-9)8-18-6-3-4-10(18)13-14-11(17-20-13)5-7-19-2/h10H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyUYNVYDMWGXYDQM-JTQLQIEISA-N
MW309.40 g/mol
LogP1.76
Rot. Bonds6

About 3-(2-methoxyethyl)-5-[(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole

3-(2-methoxyethyl)-5-[(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 118769492) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID118769492
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name3-(2-methoxyethyl)-5-[(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCOCCc1noc([C@@H]2CCCN2Cc2nnc(C)s2)n1
InChIInChI=1S/C13H19N5O2S/c1-9-15-16-12(21-9)8-18-6-3-4-10(18)13-14-11(17-20-13)5-7-19-2/h10H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyUYNVYDMWGXYDQM-JTQLQIEISA-N
XLogP1.76
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 70955476
3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole
CID 95110628
3-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 118788668
3-(2-methoxyethyl)-5-[1-(2-methylsulfonylethyl)piperidin-2-yl]-1,2,4-oxadiazole
CID 134711986
4-[1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine
CID 77083642
3-(2-methoxyethyl)-5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazole
CID 46986407
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 91836326
[(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 72866866
5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 134700016
2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 124721396
3-(2-methoxyethyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole
CID 71870137
3-[2-[(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one
CID 124749324

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-[(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 118769492) is 3-(2-methoxyethyl)-5-[(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole is COCCc1noc([C@@H]2CCCN2Cc2nnc(C)s2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is UYNVYDMWGXYDQM-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-9-15-16-12(21-9)8-18-6-3-4-10(18)13-14-11(17-20-13)5-7-19-2/h10H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-(2-methoxyethyl)-5-[(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-[(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 309.40 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 118769492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).