2-[4-(4-ethoxyphenyl)phenyl]-5-methyl-1,3-benzoxazole

C22H19NO2 — CID 102448915

IUPAC2-[4-(4-ethoxyphenyl)phenyl]-5-methyl-1,3-benzoxazole
SMILESCCOc1ccc(-c2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1
InChIInChI=1S/C22H19NO2/c1-3-24-19-11-9-17(10-12-19)16-5-7-18(8-6-16)22-23-20-14-15(2)4-13-21(20)25-22/h4-14H,3H2,1-2H3
InChIKeyKHWZKYGKUOXATI-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.87
Rot. Bonds4

About 2-[4-(4-ethoxyphenyl)phenyl]-5-methyl-1,3-benzoxazole

2-[4-(4-ethoxyphenyl)phenyl]-5-methyl-1,3-benzoxazole (PubChem CID 102448915) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)phenyl]-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)phenyl]-5-methyl-1,3-benzoxazole
PubChem CID102448915
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name2-[4-(4-ethoxyphenyl)phenyl]-5-methyl-1,3-benzoxazole
SMILESCCOc1ccc(-c2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1
InChIInChI=1S/C22H19NO2/c1-3-24-19-11-9-17(10-12-19)16-5-7-18(8-6-16)22-23-20-14-15(2)4-13-21(20)25-22/h4-14H,3H2,1-2H3
InChIKeyKHWZKYGKUOXATI-UHFFFAOYSA-N
XLogP5.87
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
2-[4-[3,5-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 22960109
5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane
CID 90914876
N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methylbenzamide
CID 2279257
2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089200
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 3159469
2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3-benzoxazole
CID 91678637
1-(4-ethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine
CID 835095
5-methyl-2-(1-methylpyridin-1-ium-4-yl)-1,3-benzoxazole iodide
CID 102552415
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 3502962
3-(3,5-dimethyl-1-benzofuran-2-yl)-5-(4-ethoxyphenyl)-1,2,4-oxadiazole
CID 53011718

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)phenyl]-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-[4-(4-ethoxyphenyl)phenyl]-5-methyl-1,3-benzoxazole (CID 102448915) is 2-[4-(4-ethoxyphenyl)phenyl]-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)phenyl]-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)phenyl]-5-methyl-1,3-benzoxazole is CCOc1ccc(-c2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)phenyl]-5-methyl-1,3-benzoxazole?
The InChIKey is KHWZKYGKUOXATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-3-24-19-11-9-17(10-12-19)16-5-7-18(8-6-16)22-23-20-14-15(2)4-13-21(20)25-22/h4-14H,3H2,1-2H3.
What are the key properties of 2-[4-(4-ethoxyphenyl)phenyl]-5-methyl-1,3-benzoxazole?
2-[4-(4-ethoxyphenyl)phenyl]-5-methyl-1,3-benzoxazole has a molecular weight of 329.40 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)phenyl]-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 102448915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).