3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide

C20H23N3O3 — CID 17441984

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide (PubChem CID 17441984) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
• PubChem CID: 17441984
• Molecular Formula: C20H23N3O3
• Molecular Weight: 353.42 g/mol
• Exact Mass: 353.17
• IUPAC Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
• SMILES: Cc1noc(C)c1COc1cccc(C(=O)NCc2ccc(C)n2C)c1
• InChI: InChI=1S/C20H23N3O3/c1-13-8-9-17(23(13)4)11-21-20(24)16-6-5-7-18(10-16)25-12-19-14(2)22-26-15(19)3/h5-10H,11-12H2,1-4H3,(H,21,24)
• InChIKey: MNEWCAZFNPLRMY-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.42
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide?

The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide (CID 17441984) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide.

What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide?

The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide is Cc1noc(C)c1COc1cccc(C(=O)NCc2ccc(C)n2C)c1.

What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide?

The InChIKey is MNEWCAZFNPLRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-8-9-17(23(13)4)11-21-20(24)16-6-5-7-18(10-16)25-12-19-14(2)22-26-15(19)3/h5-10H,11-12H2,1-4H3,(H,21,24).

What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide?

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide has a molecular weight of 353.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide is sourced from PubChem (CID 17441984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).