N-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide

C21H22N2O5 — CID 110371709

IUPACN-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)Nc3ccc(OC)c(OC)c3)c(C)o2)cc1
InChIInChI=1S/C21H22N2O5/c1-13-17(23-21(28-13)14-5-8-16(25-2)9-6-14)12-20(24)22-15-7-10-18(26-3)19(11-15)27-4/h5-11H,12H2,1-4H3,(H,22,24)
InChIKeyOSDNUGXUQAPHFU-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.86
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide

N-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (PubChem CID 110371709) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
PubChem CID110371709
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)Nc3ccc(OC)c(OC)c3)c(C)o2)cc1
InChIInChI=1S/C21H22N2O5/c1-13-17(23-21(28-13)14-5-8-16(25-2)9-6-14)12-20(24)22-15-7-10-18(26-3)19(11-15)27-4/h5-11H,12H2,1-4H3,(H,22,24)
InChIKeyOSDNUGXUQAPHFU-UHFFFAOYSA-N
XLogP3.86
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110353120
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110371720
N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614455
N-(3,4-dimethoxyphenyl)-2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356063
N-(2,5-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356048
N-(3-acetamidophenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356085
N-(3,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2701910
1-(3,4-dimethylphenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea
CID 20955588
methyl 4-[[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate
CID 110356115
N-(1,3-benzodioxol-5-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356158
N-(1,3-benzodioxol-5-yl)-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110371664
N-(2,4-dimethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110422962

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (CID 110371709) is N-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is COc1ccc(-c2nc(CC(=O)Nc3ccc(OC)c(OC)c3)c(C)o2)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The InChIKey is OSDNUGXUQAPHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-13-17(23-21(28-13)14-5-8-16(25-2)9-6-14)12-20(24)22-15-7-10-18(26-3)19(11-15)27-4/h5-11H,12H2,1-4H3,(H,22,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide has a molecular weight of 382.42 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 110371709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).