(2-methylthiomorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone

C12H18N4O2S — CID 104971111

IUPAC(2-methylthiomorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESCC1CN(C(=O)c2noc(C3CCCN3)n2)CCS1
InChIInChI=1S/C12H18N4O2S/c1-8-7-16(5-6-19-8)12(17)10-14-11(18-15-10)9-3-2-4-13-9/h8-9,13H,2-7H2,1H3
InChIKeyJAIIBQNJNREFMS-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.07
Rot. Bonds2

About (2-methylthiomorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone

(2-methylthiomorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone (PubChem CID 104971111) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is (2-methylthiomorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name(2-methylthiomorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
PubChem CID104971111
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name(2-methylthiomorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESCC1CN(C(=O)c2noc(C3CCCN3)n2)CCS1
InChIInChI=1S/C12H18N4O2S/c1-8-7-16(5-6-19-8)12(17)10-14-11(18-15-10)9-3-2-4-13-9/h8-9,13H,2-7H2,1H3
InChIKeyJAIIBQNJNREFMS-UHFFFAOYSA-N
XLogP1.07
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methoxypyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 103532991
8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 104971174
(4-propan-2-ylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 104971307
(4-ethylpiperazin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 104971272
(2-methylazepan-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 104971158
(4-hydroxy-4-methylazepan-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 107404418
(2,2-dimethylpyrrolidin-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 104971095
(5-ethyl-2-methylmorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
CID 104970806
N-methyl-N-[(2-methylcyclopropyl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742310
1-(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)piperidine-2-carboxamide
CID 104970814
N-methyl-N-(2-methylbutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971122
N-[2-(dimethylamino)ethyl]-N-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742304

Frequently Asked Questions

What is the IUPAC name of (2-methylthiomorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
The IUPAC name of (2-methylthiomorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone (CID 104971111) is (2-methylthiomorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone.
What is the SMILES notation for (2-methylthiomorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
The canonical SMILES for (2-methylthiomorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone is CC1CN(C(=O)c2noc(C3CCCN3)n2)CCS1.
What is the InChIKey of (2-methylthiomorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
The InChIKey is JAIIBQNJNREFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-8-7-16(5-6-19-8)12(17)10-14-11(18-15-10)9-3-2-4-13-9/h8-9,13H,2-7H2,1H3.
What are the key properties of (2-methylthiomorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
(2-methylthiomorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone has a molecular weight of 282.37 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiomorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone is sourced from PubChem (CID 104971111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).