3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-phenylpropanamide

C20H22N4O3 — CID 119780074

About 3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-phenylpropanamide

3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-phenylpropanamide (PubChem CID 119780074) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: 3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-phenylpropanamide
• PubChem CID: 119780074
• Molecular Formula: C20H22N4O3
• Molecular Weight: 366.42 g/mol
• Exact Mass: 366.17
• IUPAC Name: 3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-phenylpropanamide
• SMILES: Cc1nc(COc2ccc(NC(=O)C(C)C(N)c3ccccc3)cc2)no1
• InChI: InChI=1S/C20H22N4O3/c1-13(19(21)15-6-4-3-5-7-15)20(25)23-16-8-10-17(11-9-16)26-12-18-22-14(2)27-24-18/h3-11,13,19H,12,21H2,1-2H3,(H,23,25)
• InChIKey: RRUSBPFYZWJGIV-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 103.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.42
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-phenylpropanamide?

The IUPAC name of 3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-phenylpropanamide (CID 119780074) is 3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-phenylpropanamide.

What is the SMILES notation for 3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-phenylpropanamide?

The canonical SMILES for 3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-phenylpropanamide is Cc1nc(COc2ccc(NC(=O)C(C)C(N)c3ccccc3)cc2)no1.

What is the InChIKey of 3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-phenylpropanamide?

The InChIKey is RRUSBPFYZWJGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13(19(21)15-6-4-3-5-7-15)20(25)23-16-8-10-17(11-9-16)26-12-18-22-14(2)27-24-18/h3-11,13,19H,12,21H2,1-2H3,(H,23,25).

What are the key properties of 3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-phenylpropanamide?

3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-phenylpropanamide has a molecular weight of 366.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 119780074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).