5-[[(3R)-3-methylpiperidin-1-yl]methyl]-3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazole

C18H25N5OS — CID 95100376

IUPAC5-[[(3R)-3-methylpiperidin-1-yl]methyl]-3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESC[C@@H]1CCCN(Cc2nc(-c3ccc(N4CCSCC4)nc3)no2)C1
InChIInChI=1S/C18H25N5OS/c1-14-3-2-6-22(12-14)13-17-20-18(21-24-17)15-4-5-16(19-11-15)23-7-9-25-10-8-23/h4-5,11,14H,2-3,6-10,12-13H2,1H3/t14-/m1/s1
InChIKeyNRAKNVGVAGNENW-CQSZACIVSA-N
MW359.50 g/mol
LogP2.92
Rot. Bonds4

About 5-[[(3R)-3-methylpiperidin-1-yl]methyl]-3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazole

5-[[(3R)-3-methylpiperidin-1-yl]methyl]-3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 95100376) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 5-[[(3R)-3-methylpiperidin-1-yl]methyl]-3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[(3R)-3-methylpiperidin-1-yl]methyl]-3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID95100376
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name5-[[(3R)-3-methylpiperidin-1-yl]methyl]-3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESC[C@@H]1CCCN(Cc2nc(-c3ccc(N4CCSCC4)nc3)no2)C1
InChIInChI=1S/C18H25N5OS/c1-14-3-2-6-22(12-14)13-17-20-18(21-24-17)15-4-5-16(19-11-15)23-7-9-25-10-8-23/h4-5,11,14H,2-3,6-10,12-13H2,1H3/t14-/m1/s1
InChIKeyNRAKNVGVAGNENW-CQSZACIVSA-N
XLogP2.92
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[(3R)-3-methylpiperidin-1-yl]methyl]-3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
CID 53162684
5-[(4-ethylpiperazin-1-yl)methyl]-3-[6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 95100346
N-methyl-N-[[3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 53162814
1-[[3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 53162619
3-(furan-2-yl)-5-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 134019527
(3-methylpiperidin-1-yl)-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 43929304
1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-3-amine
CID 119918150
4-[5-[5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 53162753
1-[5-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperidin-4-ol
CID 138018641
3-(4-methylphenyl)-5-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 134236199
4-[5-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 53162754
[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 43927604

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-methylpiperidin-1-yl]methyl]-3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[(3R)-3-methylpiperidin-1-yl]methyl]-3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazole (CID 95100376) is 5-[[(3R)-3-methylpiperidin-1-yl]methyl]-3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[(3R)-3-methylpiperidin-1-yl]methyl]-3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[(3R)-3-methylpiperidin-1-yl]methyl]-3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazole is C[C@@H]1CCCN(Cc2nc(-c3ccc(N4CCSCC4)nc3)no2)C1.
What is the InChIKey of 5-[[(3R)-3-methylpiperidin-1-yl]methyl]-3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is NRAKNVGVAGNENW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-14-3-2-6-22(12-14)13-17-20-18(21-24-17)15-4-5-16(19-11-15)23-7-9-25-10-8-23/h4-5,11,14H,2-3,6-10,12-13H2,1H3/t14-/m1/s1.
What are the key properties of 5-[[(3R)-3-methylpiperidin-1-yl]methyl]-3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazole?
5-[[(3R)-3-methylpiperidin-1-yl]methyl]-3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 359.50 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-methylpiperidin-1-yl]methyl]-3-(6-thiomorpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 95100376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).