[(2S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

C14H22N4O3S — CID 91832975

IUPAC[(2S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCSCc1noc(CN2CCC[C@H]2C(=O)N2CCOCC2)n1
InChIInChI=1S/C14H22N4O3S/c1-22-10-12-15-13(21-16-12)9-18-4-2-3-11(18)14(19)17-5-7-20-8-6-17/h11H,2-10H2,1H3/t11-/m0/s1
InChIKeyCQISJJCJYTWILM-NSHDSACASA-N
MW326.42 g/mol
LogP0.76
Rot. Bonds5

About [(2S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 91832975) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is [(2S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID91832975
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name[(2S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCSCc1noc(CN2CCC[C@H]2C(=O)N2CCOCC2)n1
InChIInChI=1S/C14H22N4O3S/c1-22-10-12-15-13(21-16-12)9-18-4-2-3-11(18)14(19)17-5-7-20-8-6-17/h11H,2-10H2,1H3/t11-/m0/s1
InChIKeyCQISJJCJYTWILM-NSHDSACASA-N
XLogP0.76
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 77096881
[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 120751519
[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 120751518
(3R,5S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 72847499
[1-[(2,6-dichloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 71989099
morpholin-4-yl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 56706828
tert-butyl (2S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 80999649
1-(cyclopentanecarbonyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 72936545
(1-ethylpiperidin-2-yl)-morpholin-4-ylmethanone
CID 142202703
[(3S)-1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 96576947
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 60501362
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 61495787

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 91832975) is [(2S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is CSCc1noc(CN2CCC[C@H]2C(=O)N2CCOCC2)n1.
What is the InChIKey of [(2S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is CQISJJCJYTWILM-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-22-10-12-15-13(21-16-12)9-18-4-2-3-11(18)14(19)17-5-7-20-8-6-17/h11H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of [(2S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 326.42 g/mol, XLogP of 0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 91832975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).