5-methyl-3-[[(3S)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-3-yl]methyl]-1,2,4-oxadiazole

C17H21N7O — CID 97340628

IUPAC5-methyl-3-[[(3S)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-3-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(C[C@@H]2CCCN(c3cncc(-n4ccnc4C)n3)C2)no1
InChIInChI=1S/C17H21N7O/c1-12-19-5-7-24(12)17-10-18-9-16(21-17)23-6-3-4-14(11-23)8-15-20-13(2)25-22-15/h5,7,9-10,14H,3-4,6,8,11H2,1-2H3/t14-/m0/s1
InChIKeyZKTJPZPYQVYLND-AWEZNQCLSA-N
MW339.40 g/mol
LogP2.12
Rot. Bonds4

About 5-methyl-3-[[(3S)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-3-yl]methyl]-1,2,4-oxadiazole

5-methyl-3-[[(3S)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-3-yl]methyl]-1,2,4-oxadiazole (PubChem CID 97340628) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-methyl-3-[[(3S)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-3-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[[(3S)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-3-yl]methyl]-1,2,4-oxadiazole
PubChem CID97340628
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name5-methyl-3-[[(3S)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-3-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(C[C@@H]2CCCN(c3cncc(-n4ccnc4C)n3)C2)no1
InChIInChI=1S/C17H21N7O/c1-12-19-5-7-24(12)17-10-18-9-16(21-17)23-6-3-4-14(11-23)8-15-20-13(2)25-22-15/h5,7,9-10,14H,3-4,6,8,11H2,1-2H3/t14-/m0/s1
InChIKeyZKTJPZPYQVYLND-AWEZNQCLSA-N
XLogP2.12
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-methyl-3-[[(3S)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-3-yl]methyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylimidazol-1-yl)-6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyrazine
CID 133447374
ethyl (3R)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidine-3-carboxylate
CID 99636618
5-methyl-3-[[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 138040945
4-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]furo[3,2-c]pyridine
CID 75483782
3-chloro-6-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 125130905
ethyl 6-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyridine-2-carboxylate
CID 75499064
N,N-dimethyl-6-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrazine-2-carboxamide
CID 131913909
3-[[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 133493712
2-(2-methylimidazol-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine
CID 133453081
[1-[6-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133463281
5-methyl-3-[[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95847144
(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-prop-2-enylpiperidine-1-carboxamide
CID 97074173

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[(3S)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-3-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[[(3S)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-3-yl]methyl]-1,2,4-oxadiazole (CID 97340628) is 5-methyl-3-[[(3S)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-3-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[[(3S)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-3-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[[(3S)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-3-yl]methyl]-1,2,4-oxadiazole is Cc1nc(C[C@@H]2CCCN(c3cncc(-n4ccnc4C)n3)C2)no1.
What is the InChIKey of 5-methyl-3-[[(3S)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-3-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is ZKTJPZPYQVYLND-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N7O/c1-12-19-5-7-24(12)17-10-18-9-16(21-17)23-6-3-4-14(11-23)8-15-20-13(2)25-22-15/h5,7,9-10,14H,3-4,6,8,11H2,1-2H3/t14-/m0/s1.
What are the key properties of 5-methyl-3-[[(3S)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-3-yl]methyl]-1,2,4-oxadiazole?
5-methyl-3-[[(3S)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-3-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 339.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[(3S)-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-3-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97340628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).