5-(methoxymethyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole

C16H15N3O3 — CID 656230

IUPAC5-(methoxymethyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOCc1nc(-c2ccc(-c3ccccc3)nc2OC)no1
InChIInChI=1S/C16H15N3O3/c1-20-10-14-18-15(19-22-14)12-8-9-13(17-16(12)21-2)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyHTCJCJZGVLMFOC-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.95
Rot. Bonds5

About 5-(methoxymethyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole

5-(methoxymethyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 656230) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(methoxymethyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID656230
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name5-(methoxymethyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOCc1nc(-c2ccc(-c3ccccc3)nc2OC)no1
InChIInChI=1S/C16H15N3O3/c1-20-10-14-18-15(19-22-14)12-8-9-13(17-16(12)21-2)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyHTCJCJZGVLMFOC-UHFFFAOYSA-N
XLogP2.95
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(methoxymethyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole (CID 656230) is 5-(methoxymethyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(methoxymethyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(methoxymethyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole is COCc1nc(-c2ccc(-c3ccccc3)nc2OC)no1.
What is the InChIKey of 5-(methoxymethyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is HTCJCJZGVLMFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-20-10-14-18-15(19-22-14)12-8-9-13(17-16(12)21-2)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
5-(methoxymethyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 297.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 656230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).