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

C15H18N2O4 — CID 110679842

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-1,3-oxazol-5-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2ocnc2C)cc1OC
InChIInChI=1S/C15H18N2O4/c1-10-13(21-9-17-10)7-15(18)16-8-11-4-5-12(19-2)14(6-11)20-3/h4-6,9H,7-8H2,1-3H3,(H,16,18)
InChIKeyXNPLHHGCTRGYRR-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.86
Rot. Bonds6

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

N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-1,3-oxazol-5-yl)acetamide (PubChem CID 110679842) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-1,3-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-1,3-oxazol-5-yl)acetamide
PubChem CID110679842
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-1,3-oxazol-5-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2ocnc2C)cc1OC
InChIInChI=1S/C15H18N2O4/c1-10-13(21-9-17-10)7-15(18)16-8-11-4-5-12(19-2)14(6-11)20-3/h4-6,9H,7-8H2,1-3H3,(H,16,18)
InChIKeyXNPLHHGCTRGYRR-UHFFFAOYSA-N
XLogP1.86
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
2-(3,4-dihydroxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113199047
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
CID 110794633
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 110796038
2-(2,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9427593
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide
CID 46470607
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963676
2-(3,4-dimethoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052353
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662830

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-1,3-oxazol-5-yl)acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-1,3-oxazol-5-yl)acetamide (CID 110679842) is N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-1,3-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-1,3-oxazol-5-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-1,3-oxazol-5-yl)acetamide is COc1ccc(CNC(=O)Cc2ocnc2C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-1,3-oxazol-5-yl)acetamide?
The InChIKey is XNPLHHGCTRGYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10-13(21-9-17-10)7-15(18)16-8-11-4-5-12(19-2)14(6-11)20-3/h4-6,9H,7-8H2,1-3H3,(H,16,18).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-1,3-oxazol-5-yl)acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-1,3-oxazol-5-yl)acetamide has a molecular weight of 290.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-1,3-oxazol-5-yl)acetamide is sourced from PubChem (CID 110679842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).