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

C25H22N2O3 — CID 133150074

IUPAC2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-phenylethyl)benzamide
SMILESCOc1ccc(-c2cnc(-c3ccccc3C(=O)NC(C)c3ccccc3)o2)cc1
InChIInChI=1S/C25H22N2O3/c1-17(18-8-4-3-5-9-18)27-24(28)21-10-6-7-11-22(21)25-26-16-23(30-25)19-12-14-20(29-2)15-13-19/h3-17H,1-2H3,(H,27,28)
InChIKeyUXAHFJALAWGYAU-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.51
Rot. Bonds6

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

2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-phenylethyl)benzamide (PubChem CID 133150074) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-phenylethyl)benzamide
PubChem CID133150074
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-phenylethyl)benzamide
SMILESCOc1ccc(-c2cnc(-c3ccccc3C(=O)NC(C)c3ccccc3)o2)cc1
InChIInChI=1S/C25H22N2O3/c1-17(18-8-4-3-5-9-18)27-24(28)21-10-6-7-11-22(21)25-26-16-23(30-25)19-12-14-20(29-2)15-13-19/h3-17H,1-2H3,(H,27,28)
InChIKeyUXAHFJALAWGYAU-UHFFFAOYSA-N
XLogP5.51
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 ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100503337
N-tert-butyl-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100501904
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-chlorophenyl)ethyl]benzamide
CID 133150118
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 133150119
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 133150106
N-(2-fluorophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502310
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxyphenyl)benzamide
CID 36703629
N-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100508470
N-butan-2-yl-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 133150056
N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502272
N-(2,3-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502178
N-butan-2-yl-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 133150062

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-phenylethyl)benzamide (CID 133150074) is 2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-phenylethyl)benzamide is COc1ccc(-c2cnc(-c3ccccc3C(=O)NC(C)c3ccccc3)o2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-phenylethyl)benzamide?
The InChIKey is UXAHFJALAWGYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-17(18-8-4-3-5-9-18)27-24(28)21-10-6-7-11-22(21)25-26-16-23(30-25)19-12-14-20(29-2)15-13-19/h3-17H,1-2H3,(H,27,28).
What are the key properties of 2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-phenylethyl)benzamide?
2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-phenylethyl)benzamide has a molecular weight of 398.46 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 133150074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).