2-[3-(2-ethoxyethoxy)-4-pyridinyl]-5-methyl-1,3-benzoxazole

C17H18N2O3 — CID 58148158

IUPAC2-[3-(2-ethoxyethoxy)-4-pyridinyl]-5-methyl-1,3-benzoxazole
SMILESCCOCCOc1cnccc1-c1nc2cc(C)ccc2o1
InChIInChI=1S/C17H18N2O3/c1-3-20-8-9-21-16-11-18-7-6-13(16)17-19-14-10-12(2)4-5-15(14)22-17/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyUKKGADOXUBYRFY-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.61
Rot. Bonds6

About 2-[3-(2-ethoxyethoxy)-4-pyridinyl]-5-methyl-1,3-benzoxazole

2-[3-(2-ethoxyethoxy)-4-pyridinyl]-5-methyl-1,3-benzoxazole (PubChem CID 58148158) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[3-(2-ethoxyethoxy)-4-pyridinyl]-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-(2-ethoxyethoxy)-4-pyridinyl]-5-methyl-1,3-benzoxazole
PubChem CID58148158
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-[3-(2-ethoxyethoxy)-4-pyridinyl]-5-methyl-1,3-benzoxazole
SMILESCCOCCOc1cnccc1-c1nc2cc(C)ccc2o1
InChIInChI=1S/C17H18N2O3/c1-3-20-8-9-21-16-11-18-7-6-13(16)17-19-14-10-12(2)4-5-15(14)22-17/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyUKKGADOXUBYRFY-UHFFFAOYSA-N
XLogP3.61
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.61
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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Related Compounds

5-methyl-2-[3-(2,2,3,3,3-pentafluoropropoxy)-4-pyridinyl]-1,3-benzoxazole
CID 58148276
2-(3-ethylsulfonyl-4-pyridinyl)-5-methyl-1,3-benzoxazole
CID 58148146
2-[3-(3-methoxypropoxy)-4-pyridinyl]-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole
CID 129159223
[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl] ethanesulfonate
CID 42669691
2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 52919792
2-[4-(4-ethoxyphenyl)phenyl]-5-methyl-1,3-benzoxazole
CID 102448915
2-[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1,3-benzoxazole
CID 87195881
2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole
CID 1472067
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 839364
2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 91684024
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethoxyethoxy)-4-pyridinyl]-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-[3-(2-ethoxyethoxy)-4-pyridinyl]-5-methyl-1,3-benzoxazole (CID 58148158) is 2-[3-(2-ethoxyethoxy)-4-pyridinyl]-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-[3-(2-ethoxyethoxy)-4-pyridinyl]-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-[3-(2-ethoxyethoxy)-4-pyridinyl]-5-methyl-1,3-benzoxazole is CCOCCOc1cnccc1-c1nc2cc(C)ccc2o1.
What is the InChIKey of 2-[3-(2-ethoxyethoxy)-4-pyridinyl]-5-methyl-1,3-benzoxazole?
The InChIKey is UKKGADOXUBYRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-3-20-8-9-21-16-11-18-7-6-13(16)17-19-14-10-12(2)4-5-15(14)22-17/h4-7,10-11H,3,8-9H2,1-2H3.
What are the key properties of 2-[3-(2-ethoxyethoxy)-4-pyridinyl]-5-methyl-1,3-benzoxazole?
2-[3-(2-ethoxyethoxy)-4-pyridinyl]-5-methyl-1,3-benzoxazole has a molecular weight of 298.34 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxyethoxy)-4-pyridinyl]-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 58148158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).