3-[(6-ethoxy-2-pyridinyl)methyl]-5-[(3S)-3-methoxyoxolan-3-yl]-1,2,4-oxadiazole

C15H19N3O4 — CID 164629346

IUPAC3-[(6-ethoxy-2-pyridinyl)methyl]-5-[(3S)-3-methoxyoxolan-3-yl]-1,2,4-oxadiazole
SMILESCCOc1cccc(Cc2noc([C@]3(OC)CCOC3)n2)n1
InChIInChI=1S/C15H19N3O4/c1-3-21-13-6-4-5-11(16-13)9-12-17-14(22-18-12)15(19-2)7-8-20-10-15/h4-6H,3,7-10H2,1-2H3/t15-/m0/s1
InChIKeyDMPUWBQSAGHOMO-HNNXBMFYSA-N
MW305.33 g/mol
LogP1.72
Rot. Bonds6

About 3-[(6-ethoxy-2-pyridinyl)methyl]-5-[(3S)-3-methoxyoxolan-3-yl]-1,2,4-oxadiazole

3-[(6-ethoxy-2-pyridinyl)methyl]-5-[(3S)-3-methoxyoxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 164629346) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-[(6-ethoxy-2-pyridinyl)methyl]-5-[(3S)-3-methoxyoxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(6-ethoxy-2-pyridinyl)methyl]-5-[(3S)-3-methoxyoxolan-3-yl]-1,2,4-oxadiazole
PubChem CID164629346
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name3-[(6-ethoxy-2-pyridinyl)methyl]-5-[(3S)-3-methoxyoxolan-3-yl]-1,2,4-oxadiazole
SMILESCCOc1cccc(Cc2noc([C@]3(OC)CCOC3)n2)n1
InChIInChI=1S/C15H19N3O4/c1-3-21-13-6-4-5-11(16-13)9-12-17-14(22-18-12)15(19-2)7-8-20-10-15/h4-6H,3,7-10H2,1-2H3/t15-/m0/s1
InChIKeyDMPUWBQSAGHOMO-HNNXBMFYSA-N
XLogP1.72
TPSA79.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[(6-ethoxy-2-pyridinyl)methyl]-5-[(3S)-3-methoxyoxolan-3-yl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxy-2-pyridinyl)methyl]-5-[(3S)-3-methoxyoxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(6-ethoxy-2-pyridinyl)methyl]-5-[(3S)-3-methoxyoxolan-3-yl]-1,2,4-oxadiazole (CID 164629346) is 3-[(6-ethoxy-2-pyridinyl)methyl]-5-[(3S)-3-methoxyoxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(6-ethoxy-2-pyridinyl)methyl]-5-[(3S)-3-methoxyoxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(6-ethoxy-2-pyridinyl)methyl]-5-[(3S)-3-methoxyoxolan-3-yl]-1,2,4-oxadiazole is CCOc1cccc(Cc2noc([C@]3(OC)CCOC3)n2)n1.
What is the InChIKey of 3-[(6-ethoxy-2-pyridinyl)methyl]-5-[(3S)-3-methoxyoxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is DMPUWBQSAGHOMO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-3-21-13-6-4-5-11(16-13)9-12-17-14(22-18-12)15(19-2)7-8-20-10-15/h4-6H,3,7-10H2,1-2H3/t15-/m0/s1.
What are the key properties of 3-[(6-ethoxy-2-pyridinyl)methyl]-5-[(3S)-3-methoxyoxolan-3-yl]-1,2,4-oxadiazole?
3-[(6-ethoxy-2-pyridinyl)methyl]-5-[(3S)-3-methoxyoxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 305.33 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxy-2-pyridinyl)methyl]-5-[(3S)-3-methoxyoxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 164629346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).