N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide

C21H27N5O2 — CID 55857924

About N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide

N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55857924) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

• Compound Name: N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
• PubChem CID: 55857924
• Molecular Formula: C21H27N5O2
• Molecular Weight: 381.48 g/mol
• Exact Mass: 381.22
• IUPAC Name: N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
• SMILES: CCCc1noc(CCC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)n1
• InChI: InChI=1S/C21H27N5O2/c1-4-6-18-24-20(28-25-18)10-9-19(27)23-17-8-5-7-16(13-17)14-26-12-11-22-21(26)15(2)3/h5,7-8,11-13,15H,4,6,9-10,14H2,1-3H3,(H,23,27)
• InChIKey: BWLACDADGJBTNA-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.48
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?

The IUPAC name of N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (CID 55857924) is N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.

What is the SMILES notation for N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?

The canonical SMILES for N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is CCCc1noc(CCC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)n1.

What is the InChIKey of N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?

The InChIKey is BWLACDADGJBTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-4-6-18-24-20(28-25-18)10-9-19(27)23-17-8-5-7-16(13-17)14-26-12-11-22-21(26)15(2)3/h5,7-8,11-13,15H,4,6,9-10,14H2,1-3H3,(H,23,27).

What are the key properties of N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?

N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 381.48 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55857924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).