[2-(2-methoxyethyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone

C19H25N3O4 — CID 24794262

IUPAC[2-(2-methoxyethyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone
SMILESCOCCC1CCCCN1C(=O)c1cc(COc2ccc(C)nc2)on1
InChIInChI=1S/C19H25N3O4/c1-14-6-7-16(12-20-14)25-13-17-11-18(21-26-17)19(23)22-9-4-3-5-15(22)8-10-24-2/h6-7,11-12,15H,3-5,8-10,13H2,1-2H3
InChIKeyJUHGLYPSDFAUKP-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.99
Rot. Bonds7

About [2-(2-methoxyethyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone

[2-(2-methoxyethyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone (PubChem CID 24794262) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is [2-(2-methoxyethyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[2-(2-methoxyethyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone
PubChem CID24794262
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name[2-(2-methoxyethyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone
SMILESCOCCC1CCCCN1C(=O)c1cc(COc2ccc(C)nc2)on1
InChIInChI=1S/C19H25N3O4/c1-14-6-7-16(12-20-14)25-13-17-11-18(21-26-17)19(23)22-9-4-3-5-15(22)8-10-24-2/h6-7,11-12,15H,3-5,8-10,13H2,1-2H3
InChIKeyJUHGLYPSDFAUKP-UHFFFAOYSA-N
XLogP2.99
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of [2-(2-methoxyethyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone (CID 24794262) is [2-(2-methoxyethyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [2-(2-methoxyethyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [2-(2-methoxyethyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone is COCCC1CCCCN1C(=O)c1cc(COc2ccc(C)nc2)on1.
What is the InChIKey of [2-(2-methoxyethyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is JUHGLYPSDFAUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-14-6-7-16(12-20-14)25-13-17-11-18(21-26-17)19(23)22-9-4-3-5-15(22)8-10-24-2/h6-7,11-12,15H,3-5,8-10,13H2,1-2H3.
What are the key properties of [2-(2-methoxyethyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone?
[2-(2-methoxyethyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 359.43 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethyl)piperidin-1-yl]-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 24794262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).