N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C26H31FN4O2 — CID 55924367

About N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 55924367) has the molecular formula C26H31FN4O2 and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 55924367
• Molecular Formula: C26H31FN4O2
• Molecular Weight: 450.56 g/mol
• Exact Mass: 450.24
• IUPAC Name: N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3CN(C)C3CCCCC3)n2)cc1F
• InChI: InChI=1S/C26H31FN4O2/c1-18-12-13-19(16-22(18)27)26-29-25(33-30-26)15-14-24(32)28-23-11-7-6-8-20(23)17-31(2)21-9-4-3-5-10-21/h6-8,11-13,16,21H,3-5,9-10,14-15,17H2,1-2H3,(H,28,32)
• InChIKey: TUBACLDPAYHEHE-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.56
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 55924367) is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

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

The canonical SMILES for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3CN(C)C3CCCCC3)n2)cc1F.

What is the InChIKey of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The InChIKey is TUBACLDPAYHEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O2/c1-18-12-13-19(16-22(18)27)26-29-25(33-30-26)15-14-24(32)28-23-11-7-6-8-20(23)17-31(2)21-9-4-3-5-10-21/h6-8,11-13,16,21H,3-5,9-10,14-15,17H2,1-2H3,(H,28,32).

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

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 450.56 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 55924367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).