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

C25H22N2O4 — CID 100500843

IUPACN-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2-c2ncc(-c3cccc(OC)c3)o2)cc1
InChIInChI=1S/C25H22N2O4/c1-3-30-19-13-11-18(12-14-19)27-24(28)21-9-4-5-10-22(21)25-26-16-23(31-25)17-7-6-8-20(15-17)29-2/h4-16H,3H2,1-2H3,(H,27,28)
InChIKeyMKANCFKAKKOISX-UHFFFAOYSA-N
MW414.46 g/mol
LogP5.67
Rot. Bonds7

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

N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 100500843) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
PubChem CID100500843
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC NameN-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2-c2ncc(-c3cccc(OC)c3)o2)cc1
InChIInChI=1S/C25H22N2O4/c1-3-30-19-13-11-18(12-14-19)27-24(28)21-9-4-5-10-22(21)25-26-16-23(31-25)17-7-6-8-20(15-17)29-2/h4-16H,3H2,1-2H3,(H,27,28)
InChIKeyMKANCFKAKKOISX-UHFFFAOYSA-N
XLogP5.67
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 55.67
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-(3,5-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500666
N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504365
2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)benzamide
CID 100500293
N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502272
N-(3-chlorophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504316
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 100504594
N-(3-acetylphenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504867
N-butan-2-yl-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 133150062
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide
CID 100504854
2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100501410
2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2S)-pentan-2-yl]benzamide
CID 100501417

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide (CID 100500843) is N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide is CCOc1ccc(NC(=O)c2ccccc2-c2ncc(-c3cccc(OC)c3)o2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is MKANCFKAKKOISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-3-30-19-13-11-18(12-14-19)27-24(28)21-9-4-5-10-22(21)25-26-16-23(31-25)17-7-6-8-20(15-17)29-2/h4-16H,3H2,1-2H3,(H,27,28).
What are the key properties of N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 414.46 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 100500843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).