2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

C21H22N4O4 — CID 56854792

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESCOc1ccc(-c2ccc3c(c2)CC(CNC(=O)Cc2c(C)noc2C)O3)nn1
InChIInChI=1S/C21H22N4O4/c1-12-17(13(2)29-25-12)10-20(26)22-11-16-9-15-8-14(4-6-19(15)28-16)18-5-7-21(27-3)24-23-18/h4-8,16H,9-11H2,1-3H3,(H,22,26)
InChIKeyMAEAFMLRKUWTAD-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.42
Rot. Bonds6

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (PubChem CID 56854792) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
PubChem CID56854792
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESCOc1ccc(-c2ccc3c(c2)CC(CNC(=O)Cc2c(C)noc2C)O3)nn1
InChIInChI=1S/C21H22N4O4/c1-12-17(13(2)29-25-12)10-20(26)22-11-16-9-15-8-14(4-6-19(15)28-16)18-5-7-21(27-3)24-23-18/h4-8,16H,9-11H2,1-3H3,(H,22,26)
InChIKeyMAEAFMLRKUWTAD-UHFFFAOYSA-N
XLogP2.42
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 39236485
N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 45166687
N-[[(2R)-5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 42170101
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(7-fluoro-5-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45167431
(2R)-N-[[(2R)-5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 31018930
N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 45186822
N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 42190153
3,5-dimethyl-N-[[5-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 45223433
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]acetamide
CID 164641742
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45165725
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 118753970
N-[[(2S)-7-(6-methoxypyridazin-3-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42321882

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (CID 56854792) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is COc1ccc(-c2ccc3c(c2)CC(CNC(=O)Cc2c(C)noc2C)O3)nn1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The InChIKey is MAEAFMLRKUWTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-12-17(13(2)29-25-12)10-20(26)22-11-16-9-15-8-14(4-6-19(15)28-16)18-5-7-21(27-3)24-23-18/h4-8,16H,9-11H2,1-3H3,(H,22,26).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide has a molecular weight of 394.43 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is sourced from PubChem (CID 56854792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).