ethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

C19H24N4O4 — CID 137439372

IUPACethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2noc(-c3ccnc([C@H]4CCOC4)c3)n2)CC1
InChIInChI=1S/C19H24N4O4/c1-2-26-19(24)23-8-4-13(5-9-23)17-21-18(27-22-17)14-3-7-20-16(11-14)15-6-10-25-12-15/h3,7,11,13,15H,2,4-6,8-10,12H2,1H3/t15-/m0/s1
InChIKeyYZAWJVMWHGOTMV-HNNXBMFYSA-N
MW372.43 g/mol
LogP2.97
Rot. Bonds4

About ethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

ethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (PubChem CID 137439372) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is ethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
PubChem CID137439372
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Nameethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2noc(-c3ccnc([C@H]4CCOC4)c3)n2)CC1
InChIInChI=1S/C19H24N4O4/c1-2-26-19(24)23-8-4-13(5-9-23)17-21-18(27-22-17)14-3-7-20-16(11-14)15-6-10-25-12-15/h3,7,11,13,15H,2,4-6,8-10,12H2,1H3/t15-/m0/s1
InChIKeyYZAWJVMWHGOTMV-HNNXBMFYSA-N
XLogP2.97
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(1-fluorocyclobutyl)-[4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 137439601
(1-methylcyclopropyl) 4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 142573575
tert-butyl 4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 137439530
methyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 159553532
N-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 97456824
(1-fluorocyclopropyl)-[4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 159423303
(1-methylcyclopropyl) 4-[5-[2-(1-methylpyrazol-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439638
5-(4-ethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72925037
3-[(3S)-oxolan-3-yl]-5-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 97437113
(2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 58270829
4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106524833
3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 97436994

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (CID 137439372) is ethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(c2noc(-c3ccnc([C@H]4CCOC4)c3)n2)CC1.
What is the InChIKey of ethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The InChIKey is YZAWJVMWHGOTMV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-2-26-19(24)23-8-4-13(5-9-23)17-21-18(27-22-17)14-3-7-20-16(11-14)15-6-10-25-12-15/h3,7,11,13,15H,2,4-6,8-10,12H2,1H3/t15-/m0/s1.
What are the key properties of ethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
ethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate has a molecular weight of 372.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 137439372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).