3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole

C16H17N5O — CID 94496992

IUPAC3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2CCCN(c3cnc4ccccc4n3)C2)n1
InChIInChI=1S/C16H17N5O/c1-11-18-16(22-20-11)12-5-4-8-21(10-12)15-9-17-13-6-2-3-7-14(13)19-15/h2-3,6-7,9,12H,4-5,8,10H2,1H3/t12-/m1/s1
InChIKeyZIJMAHQFMVVVQN-GFCCVEGCSA-N
MW295.35 g/mol
LogP2.71
Rot. Bonds2

About 3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole

3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 94496992) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole
PubChem CID94496992
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2CCCN(c3cnc4ccccc4n3)C2)n1
InChIInChI=1S/C16H17N5O/c1-11-18-16(22-20-11)12-5-4-8-21(10-12)15-9-17-13-6-2-3-7-14(13)19-15/h2-3,6-7,9,12H,4-5,8,10H2,1H3/t12-/m1/s1
InChIKeyZIJMAHQFMVVVQN-GFCCVEGCSA-N
XLogP2.71
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]quinoxaline
CID 146045794
5-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 97119091
2-[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]-1,3-thiazole
CID 124883316
5-[(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 95307695
2-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]quinoxaline
CID 95225378
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-quinoxalin-2-ylmorpholine
CID 98575907
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzonitrile
CID 86776903
5-[1-[5-chloro-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 154836223
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline
CID 98763151
3-methyl-5-[(3S)-1-(4-phenoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 124889413
[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol
CID 33370711
3-methyl-5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 86808870

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole (CID 94496992) is 3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole is Cc1noc([C@@H]2CCCN(c3cnc4ccccc4n3)C2)n1.
What is the InChIKey of 3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is ZIJMAHQFMVVVQN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17N5O/c1-11-18-16(22-20-11)12-5-4-8-21(10-12)15-9-17-13-6-2-3-7-14(13)19-15/h2-3,6-7,9,12H,4-5,8,10H2,1H3/t12-/m1/s1.
What are the key properties of 3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole?
3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 295.35 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 94496992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).