2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide

C24H20N2O4 — CID 100506960

IUPAC2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
SMILESCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3)o2)c(OC)c1
InChIInChI=1S/C24H20N2O4/c1-28-17-12-13-20(21(14-17)29-2)22-15-25-24(30-22)19-11-7-6-10-18(19)23(27)26-16-8-4-3-5-9-16/h3-15H,1-2H3,(H,26,27)
InChIKeyCHPDZEFCIICUCL-UHFFFAOYSA-N
MW400.43 g/mol
LogP5.28
Rot. Bonds6

About 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide

2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide (PubChem CID 100506960) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
PubChem CID100506960
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
SMILESCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3)o2)c(OC)c1
InChIInChI=1S/C24H20N2O4/c1-28-17-12-13-20(21(14-17)29-2)22-15-25-24(30-22)19-11-7-6-10-18(19)23(27)26-16-8-4-3-5-9-16/h3-15H,1-2H3,(H,26,27)
InChIKeyCHPDZEFCIICUCL-UHFFFAOYSA-N
XLogP5.28
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)benzamide
CID 100507572
N-(3,4-dimethoxyphenyl)-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100507661
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide
CID 100507780
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(2,4,6-trimethylphenyl)benzamide
CID 100508304
N-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100508470
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100508362
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 133150106
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500843
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxyphenyl)benzamide
CID 36703629
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-phenylbenzamide
CID 100504090
N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502272

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide?
The IUPAC name of 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide (CID 100506960) is 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide.
What is the SMILES notation for 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide?
The canonical SMILES for 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide is COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3)o2)c(OC)c1.
What is the InChIKey of 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide?
The InChIKey is CHPDZEFCIICUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-28-17-12-13-20(21(14-17)29-2)22-15-25-24(30-22)19-11-7-6-10-18(19)23(27)26-16-8-4-3-5-9-16/h3-15H,1-2H3,(H,26,27).
What are the key properties of 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide?
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide has a molecular weight of 400.43 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide is sourced from PubChem (CID 100506960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).