[(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone

C17H20N4O4 — CID 124617175

IUPAC[(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone
SMILESO=C(c1ccnc(O[C@H]2CCOC2)c1)N1CCCC[C@@H]1c1ncon1
InChIInChI=1S/C17H20N4O4/c22-17(21-7-2-1-3-14(21)16-19-11-24-20-16)12-4-6-18-15(9-12)25-13-5-8-23-10-13/h4,6,9,11,13-14H,1-3,5,7-8,10H2/t13-,14+/m0/s1
InChIKeySZAAXOGSVNTJJP-UONOGXRCSA-N
MW344.37 g/mol
LogP2.00
Rot. Bonds4

About [(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone

[(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone (PubChem CID 124617175) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is [(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone
PubChem CID124617175
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name[(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone
SMILESO=C(c1ccnc(O[C@H]2CCOC2)c1)N1CCCC[C@@H]1c1ncon1
InChIInChI=1S/C17H20N4O4/c22-17(21-7-2-1-3-14(21)16-19-11-24-20-16)12-4-6-18-15(9-12)25-13-5-8-23-10-13/h4,6,9,11,13-14H,1-3,5,7-8,10H2/t13-,14+/m0/s1
InChIKeySZAAXOGSVNTJJP-UONOGXRCSA-N
XLogP2.00
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone with MolForge

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Related Compounds

[2-(oxolan-3-yloxy)-4-pyridinyl]-(3-phenylmorpholin-4-yl)methanone
CID 127840607
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
(3-chlorophenyl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 124617199
[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 126766315
N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 121160706
N-cyclohexyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815236
(3-cyclopropyl-4-methoxyphenyl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 125139175
2-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 120535137
[(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone
CID 99854488
3-fluoro-1-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 120529740
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
(3-methylbenzotriazol-5-yl)-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 86806177

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone?
The IUPAC name of [(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone (CID 124617175) is [(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone.
What is the SMILES notation for [(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone?
The canonical SMILES for [(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone is O=C(c1ccnc(O[C@H]2CCOC2)c1)N1CCCC[C@@H]1c1ncon1.
What is the InChIKey of [(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone?
The InChIKey is SZAAXOGSVNTJJP-UONOGXRCSA-N. The full InChI is InChI=1S/C17H20N4O4/c22-17(21-7-2-1-3-14(21)16-19-11-24-20-16)12-4-6-18-15(9-12)25-13-5-8-23-10-13/h4,6,9,11,13-14H,1-3,5,7-8,10H2/t13-,14+/m0/s1.
What are the key properties of [(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone?
[(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone has a molecular weight of 344.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone is sourced from PubChem (CID 124617175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).