N-(3-acetylphenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide

C26H22N2O4 — CID 100504867

IUPACN-(3-acetylphenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(C(C)=O)c3)o2)cc1
InChIInChI=1S/C26H22N2O4/c1-3-31-21-13-11-18(12-14-21)24-16-27-26(32-24)23-10-5-4-9-22(23)25(30)28-20-8-6-7-19(15-20)17(2)29/h4-16H,3H2,1-2H3,(H,28,30)
InChIKeyDWYULUAKHMLSJO-UHFFFAOYSA-N
MW426.47 g/mol
LogP5.86
Rot. Bonds7

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

N-(3-acetylphenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 100504867) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
PubChem CID100504867
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC NameN-(3-acetylphenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(C(C)=O)c3)o2)cc1
InChIInChI=1S/C26H22N2O4/c1-3-31-21-13-11-18(12-14-21)24-16-27-26(32-24)23-10-5-4-9-22(23)25(30)28-20-8-6-7-19(15-20)17(2)29/h4-16H,3H2,1-2H3,(H,28,30)
InChIKeyDWYULUAKHMLSJO-UHFFFAOYSA-N
XLogP5.86
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 100504090
N-(3-chlorophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504316
N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504365
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 100504594
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500843
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-naphthalen-1-ylbenzamide
CID 100504250
N-(3-bromophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502390
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide
CID 100504854
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 100503714
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methylpropyl)benzamide
CID 100503798
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylbenzamide
CID 100503847
N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502272

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-(3-acetylphenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide (CID 100504867) is N-(3-acetylphenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide is CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(C(C)=O)c3)o2)cc1.
What is the InChIKey of N-(3-acetylphenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is DWYULUAKHMLSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-3-31-21-13-11-18(12-14-21)24-16-27-26(32-24)23-10-5-4-9-22(23)25(30)28-20-8-6-7-19(15-20)17(2)29/h4-16H,3H2,1-2H3,(H,28,30).
What are the key properties of N-(3-acetylphenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide?
N-(3-acetylphenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 426.47 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 100504867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).