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

C25H22N2O5 — CID 100507572

IUPAC2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(OC)cc3OC)o2)c1
InChIInChI=1S/C25H22N2O5/c1-29-17-8-6-7-16(13-17)27-24(28)19-9-4-5-10-20(19)25-26-15-23(32-25)21-12-11-18(30-2)14-22(21)31-3/h4-15H,1-3H3,(H,27,28)
InChIKeyBHLSATQETHPURZ-UHFFFAOYSA-N
MW430.46 g/mol
LogP5.29
Rot. Bonds7

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

2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)benzamide (PubChem CID 100507572) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)benzamide
PubChem CID100507572
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(OC)cc3OC)o2)c1
InChIInChI=1S/C25H22N2O5/c1-29-17-8-6-7-16(13-17)27-24(28)19-9-4-5-10-20(19)25-26-15-23(32-25)21-12-11-18(30-2)14-22(21)31-3/h4-15H,1-3H3,(H,27,28)
InChIKeyBHLSATQETHPURZ-UHFFFAOYSA-N
XLogP5.29
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 100506960
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-(2,4,6-trimethylphenyl)benzamide
CID 100508304
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide
CID 100507780
N-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100508470
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 133150106
N-(3-bromophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502390
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100508362
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500843
N-(3,5-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500666
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxyphenyl)benzamide
CID 36703629
2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)benzamide
CID 100500293

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)benzamide (CID 100507572) is 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(OC)cc3OC)o2)c1.
What is the InChIKey of 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)benzamide?
The InChIKey is BHLSATQETHPURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-29-17-8-6-7-16(13-17)27-24(28)19-9-4-5-10-20(19)25-26-15-23(32-25)21-12-11-18(30-2)14-22(21)31-3/h4-15H,1-3H3,(H,27,28).
What are the key properties of 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)benzamide?
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)benzamide has a molecular weight of 430.46 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 100507572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).