3-(2-methoxyethoxy)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole

C16H16N2O3 — CID 89478768

IUPAC3-(2-methoxyethoxy)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
SMILESCOCCOc1noc2c(-c3cnccc3C)cccc12
InChIInChI=1S/C16H16N2O3/c1-11-6-7-17-10-14(11)12-4-3-5-13-15(12)21-18-16(13)20-9-8-19-2/h3-7,10H,8-9H2,1-2H3
InChIKeyBETXZPZNBFOFRZ-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.22
Rot. Bonds5

About 3-(2-methoxyethoxy)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole

3-(2-methoxyethoxy)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole (PubChem CID 89478768) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
PubChem CID89478768
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name3-(2-methoxyethoxy)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
SMILESCOCCOc1noc2c(-c3cnccc3C)cccc12
InChIInChI=1S/C16H16N2O3/c1-11-6-7-17-10-14(11)12-4-3-5-13-15(12)21-18-16(13)20-9-8-19-2/h3-7,10H,8-9H2,1-2H3
InChIKeyBETXZPZNBFOFRZ-UHFFFAOYSA-N
XLogP3.22
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole?
The IUPAC name of 3-(2-methoxyethoxy)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole (CID 89478768) is 3-(2-methoxyethoxy)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole.
What is the SMILES notation for 3-(2-methoxyethoxy)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole?
The canonical SMILES for 3-(2-methoxyethoxy)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole is COCCOc1noc2c(-c3cnccc3C)cccc12.
What is the InChIKey of 3-(2-methoxyethoxy)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole?
The InChIKey is BETXZPZNBFOFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-6-7-17-10-14(11)12-4-3-5-13-15(12)21-18-16(13)20-9-8-19-2/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole?
3-(2-methoxyethoxy)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole has a molecular weight of 284.31 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole is sourced from PubChem (CID 89478768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).