2-(2-ethoxyphenyl)-4-(4-phenylphenyl)-1,3-oxazole

C23H19NO2 — CID 162669929

IUPAC2-(2-ethoxyphenyl)-4-(4-phenylphenyl)-1,3-oxazole
SMILESCCOc1ccccc1-c1nc(-c2ccc(-c3ccccc3)cc2)co1
InChIInChI=1S/C23H19NO2/c1-2-25-22-11-7-6-10-20(22)23-24-21(16-26-23)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-16H,2H2,1H3
InChIKeyMNINDKPDKLBLHN-UHFFFAOYSA-N
MW341.41 g/mol
LogP6.07
Rot. Bonds5

About 2-(2-ethoxyphenyl)-4-(4-phenylphenyl)-1,3-oxazole

2-(2-ethoxyphenyl)-4-(4-phenylphenyl)-1,3-oxazole (PubChem CID 162669929) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-4-(4-phenylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-4-(4-phenylphenyl)-1,3-oxazole
PubChem CID162669929
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name2-(2-ethoxyphenyl)-4-(4-phenylphenyl)-1,3-oxazole
SMILESCCOc1ccccc1-c1nc(-c2ccc(-c3ccccc3)cc2)co1
InChIInChI=1S/C23H19NO2/c1-2-25-22-11-7-6-10-20(22)23-24-21(16-26-23)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-16H,2H2,1H3
InChIKeyMNINDKPDKLBLHN-UHFFFAOYSA-N
XLogP6.07
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-4-(4-phenylphenyl)-1,3-oxazole?
The IUPAC name of 2-(2-ethoxyphenyl)-4-(4-phenylphenyl)-1,3-oxazole (CID 162669929) is 2-(2-ethoxyphenyl)-4-(4-phenylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(2-ethoxyphenyl)-4-(4-phenylphenyl)-1,3-oxazole?
The canonical SMILES for 2-(2-ethoxyphenyl)-4-(4-phenylphenyl)-1,3-oxazole is CCOc1ccccc1-c1nc(-c2ccc(-c3ccccc3)cc2)co1.
What is the InChIKey of 2-(2-ethoxyphenyl)-4-(4-phenylphenyl)-1,3-oxazole?
The InChIKey is MNINDKPDKLBLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-2-25-22-11-7-6-10-20(22)23-24-21(16-26-23)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-16H,2H2,1H3.
What are the key properties of 2-(2-ethoxyphenyl)-4-(4-phenylphenyl)-1,3-oxazole?
2-(2-ethoxyphenyl)-4-(4-phenylphenyl)-1,3-oxazole has a molecular weight of 341.41 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-4-(4-phenylphenyl)-1,3-oxazole is sourced from PubChem (CID 162669929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).