2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-naphthalen-1-ylbenzamide

C28H22N2O3 — CID 100504250

IUPAC2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-naphthalen-1-ylbenzamide
SMILESCCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc4ccccc34)o2)cc1
InChIInChI=1S/C28H22N2O3/c1-2-32-21-16-14-20(15-17-21)26-18-29-28(33-26)24-12-6-5-11-23(24)27(31)30-25-13-7-9-19-8-3-4-10-22(19)25/h3-18H,2H2,1H3,(H,30,31)
InChIKeyIHBBQESEHVOXCU-UHFFFAOYSA-N
MW434.50 g/mol
LogP6.81
Rot. Bonds6

About 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-naphthalen-1-ylbenzamide

2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-naphthalen-1-ylbenzamide (PubChem CID 100504250) has the molecular formula C28H22N2O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-naphthalen-1-ylbenzamide
PubChem CID100504250
Molecular FormulaC28H22N2O3
Molecular Weight434.50 g/mol
Exact Mass434.16
IUPAC Name2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-naphthalen-1-ylbenzamide
SMILESCCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc4ccccc34)o2)cc1
InChIInChI=1S/C28H22N2O3/c1-2-32-21-16-14-20(15-17-21)26-18-29-28(33-26)24-12-6-5-11-23(24)27(31)30-25-13-7-9-19-8-3-4-10-22(19)25/h3-18H,2H2,1H3,(H,30,31)
InChIKeyIHBBQESEHVOXCU-UHFFFAOYSA-N
XLogP6.81
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 100504090
N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504365
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 100503714
N-(3-chlorophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504316
N-(3-acetylphenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504867
N-(2,3-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502178
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methylpropyl)benzamide
CID 100503798
N-(2-fluorophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502310
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 100504594
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide
CID 100504854
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylbenzamide
CID 100503847
N-[(4-chlorophenyl)methyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100503954

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-naphthalen-1-ylbenzamide?
The IUPAC name of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-naphthalen-1-ylbenzamide (CID 100504250) is 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-naphthalen-1-ylbenzamide is CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc4ccccc34)o2)cc1.
What is the InChIKey of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-naphthalen-1-ylbenzamide?
The InChIKey is IHBBQESEHVOXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O3/c1-2-32-21-16-14-20(15-17-21)26-18-29-28(33-26)24-12-6-5-11-23(24)27(31)30-25-13-7-9-19-8-3-4-10-22(19)25/h3-18H,2H2,1H3,(H,30,31).
What are the key properties of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-naphthalen-1-ylbenzamide?
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-naphthalen-1-ylbenzamide has a molecular weight of 434.50 g/mol, XLogP of 6.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 100504250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).