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

C25H22N2O3 — CID 100502178

IUPACN-(2,3-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(C)c3C)o2)cc1
InChIInChI=1S/C25H22N2O3/c1-16-7-6-10-22(17(16)2)27-24(28)20-8-4-5-9-21(20)25-26-15-23(30-25)18-11-13-19(29-3)14-12-18/h4-15H,1-3H3,(H,27,28)
InChIKeyJGTLTKCAHXFIGA-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.89
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 100502178) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
PubChem CID100502178
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC NameN-(2,3-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(C)c3C)o2)cc1
InChIInChI=1S/C25H22N2O3/c1-16-7-6-10-22(17(16)2)27-24(28)20-8-4-5-9-21(20)25-26-15-23(30-25)18-11-13-19(29-3)14-12-18/h4-15H,1-3H3,(H,27,28)
InChIKeyJGTLTKCAHXFIGA-UHFFFAOYSA-N
XLogP5.89
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502310
2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)benzamide
CID 100500293
N-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502448
N-(4-chloro-2,5-dimethoxyphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100503547
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-naphthalen-1-ylbenzamide
CID 100504250
N-(3-bromophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502390
N-tert-butyl-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100501904
N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502272
N-(2,3-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500618
2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-phenylethyl)benzamide
CID 133150074
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(2-methyl-3-nitrophenyl)benzamide
CID 100510182

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide (CID 100502178) is N-(2,3-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide is COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(C)c3C)o2)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is JGTLTKCAHXFIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-16-7-6-10-22(17(16)2)27-24(28)20-8-4-5-9-21(20)25-26-15-23(30-25)18-11-13-19(29-3)14-12-18/h4-15H,1-3H3,(H,27,28).
What are the key properties of N-(2,3-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
N-(2,3-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 398.46 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 100502178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).