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

C21H22N2O5 — CID 16879407

IUPAC2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cc2cc(-c3ccc(OC)c(OC)c3)on2)c1
InChIInChI=1S/C21H22N2O5/c1-25-17-6-4-5-14(9-17)13-22-21(24)12-16-11-19(28-23-16)15-7-8-18(26-2)20(10-15)27-3/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyQBNRJNIUYDUJAA-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.23
Rot. Bonds8

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

2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 16879407) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID16879407
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cc2cc(-c3ccc(OC)c(OC)c3)on2)c1
InChIInChI=1S/C21H22N2O5/c1-25-17-6-4-5-14(9-17)13-22-21(24)12-16-11-19(28-23-16)15-7-8-18(26-2)20(10-15)27-3/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyQBNRJNIUYDUJAA-UHFFFAOYSA-N
XLogP3.23
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide
CID 16867314
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 16879298
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(4-ethoxyphenyl)acetamide
CID 16867310
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867057
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 16879285
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 110316742
N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 8713252
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(2,3-dimethylphenyl)acetamide
CID 16879363
N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878943
N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313759
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]naphthalene-2-carboxamide
CID 16867283
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-phenylacetamide
CID 110314800

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide (CID 16879407) is 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)Cc2cc(-c3ccc(OC)c(OC)c3)on2)c1.
What is the InChIKey of 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is QBNRJNIUYDUJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-25-17-6-4-5-14(9-17)13-22-21(24)12-16-11-19(28-23-16)15-7-8-18(26-2)20(10-15)27-3/h4-11H,12-13H2,1-3H3,(H,22,24).
What are the key properties of 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 382.42 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 16879407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).