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

C16H19N3O4 — CID 24790197

IUPAC(3-hydroxypiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone
SMILESCc1ccc(OCc2cc(C(=O)N3CCCC(O)C3)no2)cn1
InChIInChI=1S/C16H19N3O4/c1-11-4-5-13(8-17-11)22-10-14-7-15(18-23-14)16(21)19-6-2-3-12(20)9-19/h4-5,7-8,12,20H,2-3,6,9-10H2,1H3
InChIKeyJOKJCCSVADDGDO-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.55
Rot. Bonds4

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

(3-hydroxypiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone (PubChem CID 24790197) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone
PubChem CID24790197
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC Name(3-hydroxypiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone
SMILESCc1ccc(OCc2cc(C(=O)N3CCCC(O)C3)no2)cn1
InChIInChI=1S/C16H19N3O4/c1-11-4-5-13(8-17-11)22-10-14-7-15(18-23-14)16(21)19-6-2-3-12(20)9-19/h4-5,7-8,12,20H,2-3,6,9-10H2,1H3
InChIKeyJOKJCCSVADDGDO-UHFFFAOYSA-N
XLogP1.55
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone (CID 24790197) is (3-hydroxypiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone is Cc1ccc(OCc2cc(C(=O)N3CCCC(O)C3)no2)cn1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is JOKJCCSVADDGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-11-4-5-13(8-17-11)22-10-14-7-15(18-23-14)16(21)19-6-2-3-12(20)9-19/h4-5,7-8,12,20H,2-3,6,9-10H2,1H3.
What are the key properties of (3-hydroxypiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone?
(3-hydroxypiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 317.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 24790197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).