5-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-2-(6-methyl-3-pyridinyl)-1,3-benzoxazole

C21H19N3O4 — CID 166644722

IUPAC5-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-2-(6-methyl-3-pyridinyl)-1,3-benzoxazole
SMILESCOCOc1ccc(COc2ccc3oc(-c4ccc(C)nc4)nc3c2)nc1
InChIInChI=1S/C21H19N3O4/c1-14-3-4-15(10-22-14)21-24-19-9-17(7-8-20(19)28-21)26-12-16-5-6-18(11-23-16)27-13-25-2/h3-11H,12-13H2,1-2H3
InChIKeySIDNZEFNARCBMJ-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.15
Rot. Bonds7

About 5-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-2-(6-methyl-3-pyridinyl)-1,3-benzoxazole

5-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-2-(6-methyl-3-pyridinyl)-1,3-benzoxazole (PubChem CID 166644722) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-2-(6-methyl-3-pyridinyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-2-(6-methyl-3-pyridinyl)-1,3-benzoxazole
PubChem CID166644722
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name5-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-2-(6-methyl-3-pyridinyl)-1,3-benzoxazole
SMILESCOCOc1ccc(COc2ccc3oc(-c4ccc(C)nc4)nc3c2)nc1
InChIInChI=1S/C21H19N3O4/c1-14-3-4-15(10-22-14)21-24-19-9-17(7-8-20(19)28-21)26-12-16-5-6-18(11-23-16)27-13-25-2/h3-11H,12-13H2,1-2H3
InChIKeySIDNZEFNARCBMJ-UHFFFAOYSA-N
XLogP4.15
TPSA79.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-2-(6-methyl-3-pyridinyl)-1,3-benzoxazole?
The IUPAC name of 5-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-2-(6-methyl-3-pyridinyl)-1,3-benzoxazole (CID 166644722) is 5-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-2-(6-methyl-3-pyridinyl)-1,3-benzoxazole.
What is the SMILES notation for 5-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-2-(6-methyl-3-pyridinyl)-1,3-benzoxazole?
The canonical SMILES for 5-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-2-(6-methyl-3-pyridinyl)-1,3-benzoxazole is COCOc1ccc(COc2ccc3oc(-c4ccc(C)nc4)nc3c2)nc1.
What is the InChIKey of 5-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-2-(6-methyl-3-pyridinyl)-1,3-benzoxazole?
The InChIKey is SIDNZEFNARCBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-14-3-4-15(10-22-14)21-24-19-9-17(7-8-20(19)28-21)26-12-16-5-6-18(11-23-16)27-13-25-2/h3-11H,12-13H2,1-2H3.
What are the key properties of 5-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-2-(6-methyl-3-pyridinyl)-1,3-benzoxazole?
5-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-2-(6-methyl-3-pyridinyl)-1,3-benzoxazole has a molecular weight of 377.40 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-2-(6-methyl-3-pyridinyl)-1,3-benzoxazole is sourced from PubChem (CID 166644722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).