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

C25H29N3O4 — CID 55986766

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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide (PubChem CID 55986766) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

• Compound Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
• PubChem CID: 55986766
• Molecular Formula: C25H29N3O4
• Molecular Weight: 435.52 g/mol
• Exact Mass: 435.22
• IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
• SMILES: COc1cc(C(=O)NCc2ccccc2N2CCCC2)ccc1OCc1c(C)noc1C
• InChI: InChI=1S/C25H29N3O4/c1-17-21(18(2)32-27-17)16-31-23-11-10-19(14-24(23)30-3)25(29)26-15-20-8-4-5-9-22(20)28-12-6-7-13-28/h4-5,8-11,14H,6-7,12-13,15-16H2,1-3H3,(H,26,29)
• InChIKey: HPOKOAVOHZTNEK-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 76.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.52
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide (CID 55986766) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide.

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

The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide is COc1cc(C(=O)NCc2ccccc2N2CCCC2)ccc1OCc1c(C)noc1C.

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

The InChIKey is HPOKOAVOHZTNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-17-21(18(2)32-27-17)16-31-23-11-10-19(14-24(23)30-3)25(29)26-15-20-8-4-5-9-22(20)28-12-6-7-13-28/h4-5,8-11,14H,6-7,12-13,15-16H2,1-3H3,(H,26,29).

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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide has a molecular weight of 435.52 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 55986766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).