2-(2-ethoxyphenyl)-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole

C27H21NO2 — CID 162649330

IUPAC2-(2-ethoxyphenyl)-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole
SMILESCCOc1ccccc1-c1nc(-c2ccc(-c3cccc4ccccc34)cc2)co1
InChIInChI=1S/C27H21NO2/c1-2-29-26-13-6-5-11-24(26)27-28-25(18-30-27)21-16-14-20(15-17-21)23-12-7-9-19-8-3-4-10-22(19)23/h3-18H,2H2,1H3
InChIKeyIEONKHLDSOXYID-UHFFFAOYSA-N
MW391.47 g/mol
LogP7.23
Rot. Bonds5

About 2-(2-ethoxyphenyl)-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole

2-(2-ethoxyphenyl)-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole (PubChem CID 162649330) has the molecular formula C27H21NO2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole
PubChem CID162649330
Molecular FormulaC27H21NO2
Molecular Weight391.47 g/mol
Exact Mass391.16
IUPAC Name2-(2-ethoxyphenyl)-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole
SMILESCCOc1ccccc1-c1nc(-c2ccc(-c3cccc4ccccc34)cc2)co1
InChIInChI=1S/C27H21NO2/c1-2-29-26-13-6-5-11-24(26)27-28-25(18-30-27)21-16-14-20(15-17-21)23-12-7-9-19-8-3-4-10-22(19)23/h3-18H,2H2,1H3
InChIKeyIEONKHLDSOXYID-UHFFFAOYSA-N
XLogP7.23
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)oxazole
CID 138394724
Ave-8134
CID 11625114
N-hydroxy-2-(6-methoxynaphthalen-2-yl)-1,3-oxazole-4-carboxamide
CID 127027150
N-hydroxy-2-naphthalen-2-yl-1,3-oxazole-4-carboxamide
CID 127027175
2-Methyl-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole
CID 162654334
4-[4-(2-Methylphenyl)phenyl]-2-phenyl-1,3-oxazole
CID 162670328
2-Methyl-4-(2''-(trifluoromethoxy)biphenyl-3-yl)oxazole
CID 11278604
Benzyl 2-(2-benzyloxyphenyl)oxazole-4-carboxylate
CID 10200081
Benzyl 2-(2-methoxyphenyl)oxazole-4-carboxylate
CID 46201739
Benzyl 2-(p-tolyl)oxazole-4-carboxylate
CID 46201743
2-[4-(3-Oxo-2,3-diphenylpropyl)phenyl]-1,3-oxazole-4-carboxylic acid
CID 70685412
2-[2-(3-Methylphenyl)phenyl]-4-[4-(3-methylphenyl)phenyl]-1,3-oxazole
CID 162648413

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole?
The IUPAC name of 2-(2-ethoxyphenyl)-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole (CID 162649330) is 2-(2-ethoxyphenyl)-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(2-ethoxyphenyl)-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole?
The canonical SMILES for 2-(2-ethoxyphenyl)-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole is CCOc1ccccc1-c1nc(-c2ccc(-c3cccc4ccccc34)cc2)co1.
What is the InChIKey of 2-(2-ethoxyphenyl)-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole?
The InChIKey is IEONKHLDSOXYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO2/c1-2-29-26-13-6-5-11-24(26)27-28-25(18-30-27)21-16-14-20(15-17-21)23-12-7-9-19-8-3-4-10-22(19)23/h3-18H,2H2,1H3.
What are the key properties of 2-(2-ethoxyphenyl)-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole?
2-(2-ethoxyphenyl)-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole has a molecular weight of 391.47 g/mol, XLogP of 7.23, 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-naphthalen-1-ylphenyl)-1,3-oxazole is sourced from PubChem (CID 162649330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).