N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide

C₂₁H₂₁N₃O₃ — CID 153360814

About N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide

N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide (PubChem CID 153360814) has the molecular formula C₂₁H₂₁N₃O₃ and a molecular weight of 363.42 g/mol. Its IUPAC name is N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide.

Molecular Properties

• Compound Name: N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide
• PubChem CID: 153360814
• Molecular Formula: C₂₁H₂₁N₃O₃
• Molecular Weight: 363.42 g/mol
• Exact Mass: 363.16
• IUPAC Name: N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide
• SMILES: CCC(=O)N(C)c1ccc(-c2ccc(C(=O)N(C)c3ncco3)cc2)cc1
• InChI: InChI=1S/C21H21N3O3/c1-4-19(25)23(2)18-11-9-16(10-12-18)15-5-7-17(8-6-15)20(26)24(3)21-22-13-14-27-21/h5-14H,4H2,1-3H3
• InChIKey: KKKDLGVWZPYVPB-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 66.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.42
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide?

The IUPAC name of N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide (CID 153360814) is N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide.

What is the SMILES notation for N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide?

The canonical SMILES for N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)N(C)c3ncco3)cc2)cc1.

What is the InChIKey of N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide?

The InChIKey is KKKDLGVWZPYVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-4-19(25)23(2)18-11-9-16(10-12-18)15-5-7-17(8-6-15)20(26)24(3)21-22-13-14-27-21/h5-14H,4H2,1-3H3.

What are the key properties of N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide?

N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide has a molecular weight of 363.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide is sourced from PubChem (CID 153360814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153360814 — identifiers, structure, computed properties (public domain)

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