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

C25H22N2O3 — CID 100502272

IUPACN-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCCc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(OC)cc3)o2)cc1
InChIInChI=1S/C25H22N2O3/c1-3-17-8-12-19(13-9-17)27-24(28)21-6-4-5-7-22(21)25-26-16-23(30-25)18-10-14-20(29-2)15-11-18/h4-16H,3H2,1-2H3,(H,27,28)
InChIKeyVOWRBBSCLUQPTE-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.83
Rot. Bonds6

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

N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 100502272) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
PubChem CID100502272
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC NameN-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCCc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(OC)cc3)o2)cc1
InChIInChI=1S/C25H22N2O3/c1-3-17-8-12-19(13-9-17)27-24(28)21-6-4-5-7-22(21)25-26-16-23(30-25)18-10-14-20(29-2)15-11-18/h4-16H,3H2,1-2H3,(H,27,28)
InChIKeyVOWRBBSCLUQPTE-UHFFFAOYSA-N
XLogP5.83
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxyphenyl)benzamide
CID 36703629
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
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500843
N-(3-bromophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502390
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-bromophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 100508849
N-tert-butyl-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100501904
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide
CID 100504854
2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100503337
ethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate
CID 100509677

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide (CID 100502272) is N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide is CCc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(OC)cc3)o2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is VOWRBBSCLUQPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-3-17-8-12-19(13-9-17)27-24(28)21-6-4-5-7-22(21)25-26-16-23(30-25)18-10-14-20(29-2)15-11-18/h4-16H,3H2,1-2H3,(H,27,28).
What are the key properties of N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 398.46 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 100502272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).