2-ethyl-5-[[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole

C19H28N6O — CID 95896261

IUPAC2-ethyl-5-[[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCC[C@@H](c3cc(N4CCCC4)nc(C)n3)C2)o1
InChIInChI=1S/C19H28N6O/c1-3-18-22-23-19(26-18)13-24-8-6-7-15(12-24)16-11-17(21-14(2)20-16)25-9-4-5-10-25/h11,15H,3-10,12-13H2,1-2H3/t15-/m1/s1
InChIKeyMGHHXUDHNIDCQI-OAHLLOKOSA-N
MW356.47 g/mol
LogP2.71
Rot. Bonds5

About 2-ethyl-5-[[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole

2-ethyl-5-[[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 95896261) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-ethyl-5-[[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID95896261
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name2-ethyl-5-[[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCC[C@@H](c3cc(N4CCCC4)nc(C)n3)C2)o1
InChIInChI=1S/C19H28N6O/c1-3-18-22-23-19(26-18)13-24-8-6-7-15(12-24)16-11-17(21-14(2)20-16)25-9-4-5-10-25/h11,15H,3-10,12-13H2,1-2H3/t15-/m1/s1
InChIKeyMGHHXUDHNIDCQI-OAHLLOKOSA-N
XLogP2.71
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-5-[[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

3-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 56900896
N,N-dimethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 95867700
N-ethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 95876230
N-(2-methylpropyl)-2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 95871480
N-methyl-2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 56881607
2-ethyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 94526415
2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 95867348
1-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-2-propoxyethanone
CID 95869237
3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid
CID 70780123
1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 56906285
(5-ethyl-1H-pyrazol-4-yl)-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95862072
(3-hydroxy-4-methylphenyl)-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95870156

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 95896261) is 2-ethyl-5-[[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is CCc1nnc(CN2CCC[C@@H](c3cc(N4CCCC4)nc(C)n3)C2)o1.
What is the InChIKey of 2-ethyl-5-[[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is MGHHXUDHNIDCQI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N6O/c1-3-18-22-23-19(26-18)13-24-8-6-7-15(12-24)16-11-17(21-14(2)20-16)25-9-4-5-10-25/h11,15H,3-10,12-13H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-ethyl-5-[[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-ethyl-5-[[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 356.47 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 95896261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).