2-(2-ethoxyphenyl)-4-[4-(4-methylphenyl)phenyl]-1,3-oxazole

C24H21NO2 — CID 162660392

IUPAC2-(2-ethoxyphenyl)-4-[4-(4-methylphenyl)phenyl]-1,3-oxazole
SMILESCCOc1ccccc1-c1nc(-c2ccc(-c3ccc(C)cc3)cc2)co1
InChIInChI=1S/C24H21NO2/c1-3-26-23-7-5-4-6-21(23)24-25-22(16-27-24)20-14-12-19(13-15-20)18-10-8-17(2)9-11-18/h4-16H,3H2,1-2H3
InChIKeyNORGTHMMGPAEPQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP6.38
Rot. Bonds5

About 2-(2-ethoxyphenyl)-4-[4-(4-methylphenyl)phenyl]-1,3-oxazole

2-(2-ethoxyphenyl)-4-[4-(4-methylphenyl)phenyl]-1,3-oxazole (PubChem CID 162660392) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-4-[4-(4-methylphenyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-4-[4-(4-methylphenyl)phenyl]-1,3-oxazole
PubChem CID162660392
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name2-(2-ethoxyphenyl)-4-[4-(4-methylphenyl)phenyl]-1,3-oxazole
SMILESCCOc1ccccc1-c1nc(-c2ccc(-c3ccc(C)cc3)cc2)co1
InChIInChI=1S/C24H21NO2/c1-3-26-23-7-5-4-6-21(23)24-25-22(16-27-24)20-14-12-19(13-15-20)18-10-8-17(2)9-11-18/h4-16H,3H2,1-2H3
InChIKeyNORGTHMMGPAEPQ-UHFFFAOYSA-N
XLogP6.38
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 56.38
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-(4-methylphenyl)phenyl]-1,3-oxazole?
The IUPAC name of 2-(2-ethoxyphenyl)-4-[4-(4-methylphenyl)phenyl]-1,3-oxazole (CID 162660392) is 2-(2-ethoxyphenyl)-4-[4-(4-methylphenyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 2-(2-ethoxyphenyl)-4-[4-(4-methylphenyl)phenyl]-1,3-oxazole?
The canonical SMILES for 2-(2-ethoxyphenyl)-4-[4-(4-methylphenyl)phenyl]-1,3-oxazole is CCOc1ccccc1-c1nc(-c2ccc(-c3ccc(C)cc3)cc2)co1.
What is the InChIKey of 2-(2-ethoxyphenyl)-4-[4-(4-methylphenyl)phenyl]-1,3-oxazole?
The InChIKey is NORGTHMMGPAEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-3-26-23-7-5-4-6-21(23)24-25-22(16-27-24)20-14-12-19(13-15-20)18-10-8-17(2)9-11-18/h4-16H,3H2,1-2H3.
What are the key properties of 2-(2-ethoxyphenyl)-4-[4-(4-methylphenyl)phenyl]-1,3-oxazole?
2-(2-ethoxyphenyl)-4-[4-(4-methylphenyl)phenyl]-1,3-oxazole has a molecular weight of 355.44 g/mol, XLogP of 6.38, 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-(4-methylphenyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 162660392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).