3,4-dimethoxy-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide

C19H18N2O4 — CID 110402230

IUPAC3,4-dimethoxy-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2oncc2-c2ccc(C)cc2)cc1OC
InChIInChI=1S/C19H18N2O4/c1-12-4-6-13(7-5-12)15-11-20-25-19(15)21-18(22)14-8-9-16(23-2)17(10-14)24-3/h4-11H,1-3H3,(H,21,22)
InChIKeyHXKCYMDBLLEYCJ-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.92
Rot. Bonds5

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

3,4-dimethoxy-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide (PubChem CID 110402230) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide
PubChem CID110402230
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name3,4-dimethoxy-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2oncc2-c2ccc(C)cc2)cc1OC
InChIInChI=1S/C19H18N2O4/c1-12-4-6-13(7-5-12)15-11-20-25-19(15)21-18(22)14-8-9-16(23-2)17(10-14)24-3/h4-11H,1-3H3,(H,21,22)
InChIKeyHXKCYMDBLLEYCJ-UHFFFAOYSA-N
XLogP3.92
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide
CID 110402217
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 110402676
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-3-methylbenzamide
CID 110402364
3,4-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide;hydrochloride
CID 163326261
4-methoxy-N-(4-phenyl-1,2-oxazol-5-yl)benzamide
CID 110402060
2,6-dimethoxy-N-(4-phenyl-1,2-oxazol-5-yl)benzamide
CID 110402062
1-(3-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]urea
CID 110402667
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethoxybenzamide
CID 51098103
3-cyano-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 143484074
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethoxybenzamide
CID 43976692
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethoxybenzamide
CID 7533252
2-(2-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 110402410

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide (CID 110402230) is 3,4-dimethoxy-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide is COc1ccc(C(=O)Nc2oncc2-c2ccc(C)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide?
The InChIKey is HXKCYMDBLLEYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12-4-6-13(7-5-12)15-11-20-25-19(15)21-18(22)14-8-9-16(23-2)17(10-14)24-3/h4-11H,1-3H3,(H,21,22).
What are the key properties of 3,4-dimethoxy-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide?
3,4-dimethoxy-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide has a molecular weight of 338.36 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide is sourced from PubChem (CID 110402230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).