[3-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone

C21H23N3O4 — CID 24817489

IUPAC[3-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCOCC1CCCN(C(=O)c2cc(COc3ccc4ncccc4c3)on2)C1
InChIInChI=1S/C21H23N3O4/c1-26-13-15-4-3-9-24(12-15)21(25)20-11-18(28-23-20)14-27-17-6-7-19-16(10-17)5-2-8-22-19/h2,5-8,10-11,15H,3-4,9,12-14H2,1H3
InChIKeyKJMXYQMHMJROBS-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.30
Rot. Bonds6

About [3-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone

[3-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone (PubChem CID 24817489) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is [3-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone
PubChem CID24817489
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name[3-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCOCC1CCCN(C(=O)c2cc(COc3ccc4ncccc4c3)on2)C1
InChIInChI=1S/C21H23N3O4/c1-26-13-15-4-3-9-24(12-15)21(25)20-11-18(28-23-20)14-27-17-6-7-19-16(10-17)5-2-8-22-19/h2,5-8,10-11,15H,3-4,9,12-14H2,1H3
InChIKeyKJMXYQMHMJROBS-UHFFFAOYSA-N
XLogP3.30
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone with MolForge

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Related Compounds

ML381
CID 42519285
N-cyclopentyl-5-[(quinolin-6-yloxy)methyl]isoxazole-3-carboxamide
CID 16190148
Dafadine-A
CID 24790866
1-({5-[(Quinolin-6-yloxy)methyl]isoxazol-3-yl}carbonyl)piperidin-4-ol
CID 16187688
1-[1-({5-[(Quinolin-6-yloxy)methyl]isoxazol-3-yl}carbonyl)piperidin-4-yl]propan-1-ol
CID 16187732
Ethyl 4-({5-[(quinolin-6-yloxy)methyl]isoxazol-3-yl}carbonyl)piperazine-1-carboxylate
CID 16187802
N-methyl-N-[(3-methylisoxazol-5-yl)methyl]-5-[(quinolin-6-yloxy)methyl]isoxazole-3-carboxamide
CID 16188167
dafadine C
CID 16189154
N-cyclooctyl-5-[(quinolin-6-yloxy)methyl]isoxazole-3-carboxamide
CID 16189691
N-[1-(4-fluorophenyl)ethyl]-5-[(quinolin-6-yloxy)methyl]isoxazole-3-carboxamide
CID 16190214
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(quinolin-6-yloxy)methyl]isoxazole-3-carboxamide
CID 16190316
6-{[3-(Azepan-1-ylcarbonyl)isoxazol-5-yl]methoxy}quinoline
CID 16190805

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone (CID 24817489) is [3-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [3-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [3-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone is COCC1CCCN(C(=O)c2cc(COc3ccc4ncccc4c3)on2)C1.
What is the InChIKey of [3-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is KJMXYQMHMJROBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-26-13-15-4-3-9-24(12-15)21(25)20-11-18(28-23-20)14-27-17-6-7-19-16(10-17)5-2-8-22-19/h2,5-8,10-11,15H,3-4,9,12-14H2,1H3.
What are the key properties of [3-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone?
[3-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 381.43 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)piperidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 24817489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).