3-bromo-N-cyclopropyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide

C25H26BrN3O3 — CID 42844060

About 3-bromo-N-cyclopropyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide

3-bromo-N-cyclopropyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide (PubChem CID 42844060) has the molecular formula C25H26BrN3O3 and a molecular weight of 496.41 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 3-bromo-N-cyclopropyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
• PubChem CID: 42844060
• Molecular Formula: C25H26BrN3O3
• Molecular Weight: 496.41 g/mol
• Exact Mass: 495.12
• IUPAC Name: 3-bromo-N-cyclopropyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
• SMILES: Cc1cccc(-c2noc(N3CCOCC3)c2CN(C(=O)c2cccc(Br)c2)C2CC2)c1
• InChI: InChI=1S/C25H26BrN3O3/c1-17-4-2-5-18(14-17)23-22(25(32-27-23)28-10-12-31-13-11-28)16-29(21-8-9-21)24(30)19-6-3-7-20(26)15-19/h2-7,14-15,21H,8-13,16H2,1H3
• InChIKey: VACRYYLTOREDDX-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 58.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.41
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide?

The IUPAC name of 3-bromo-N-cyclopropyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide (CID 42844060) is 3-bromo-N-cyclopropyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide.

What is the SMILES notation for 3-bromo-N-cyclopropyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide?

The canonical SMILES for 3-bromo-N-cyclopropyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide is Cc1cccc(-c2noc(N3CCOCC3)c2CN(C(=O)c2cccc(Br)c2)C2CC2)c1.

What is the InChIKey of 3-bromo-N-cyclopropyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide?

The InChIKey is VACRYYLTOREDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrN3O3/c1-17-4-2-5-18(14-17)23-22(25(32-27-23)28-10-12-31-13-11-28)16-29(21-8-9-21)24(30)19-6-3-7-20(26)15-19/h2-7,14-15,21H,8-13,16H2,1H3.

What are the key properties of 3-bromo-N-cyclopropyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide?

3-bromo-N-cyclopropyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide has a molecular weight of 496.41 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-cyclopropyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide is sourced from PubChem (CID 42844060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).