N-[2-(dicyclopropylamino)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide

C25H25N7O2 — CID 157471994

About N-[2-(dicyclopropylamino)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide

N-[2-(dicyclopropylamino)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 157471994) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-[2-(dicyclopropylamino)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(dicyclopropylamino)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
• PubChem CID: 157471994
• Molecular Formula: C25H25N7O2
• Molecular Weight: 455.52 g/mol
• Exact Mass: 455.21
• IUPAC Name: N-[2-(dicyclopropylamino)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
• SMILES: Cc1cc(CC(=O)Nc2cc(-c3ccccc3-c3nn[nH]n3)ccc2N(C2CC2)C2CC2)no1
• InChI: InChI=1S/C25H25N7O2/c1-15-12-17(29-34-15)14-24(33)26-22-13-16(6-11-23(22)32(18-7-8-18)19-9-10-19)20-4-2-3-5-21(20)25-27-30-31-28-25/h2-6,11-13,18-19H,7-10,14H2,1H3,(H,26,33)(H,27,28,30,31)
• InChIKey: JLDZALYYUIPHQG-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 112.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.52
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(dicyclopropylamino)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?

The IUPAC name of N-[2-(dicyclopropylamino)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 157471994) is N-[2-(dicyclopropylamino)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.

What is the SMILES notation for N-[2-(dicyclopropylamino)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?

The canonical SMILES for N-[2-(dicyclopropylamino)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(CC(=O)Nc2cc(-c3ccccc3-c3nn[nH]n3)ccc2N(C2CC2)C2CC2)no1.

What is the InChIKey of N-[2-(dicyclopropylamino)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?

The InChIKey is JLDZALYYUIPHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-15-12-17(29-34-15)14-24(33)26-22-13-16(6-11-23(22)32(18-7-8-18)19-9-10-19)20-4-2-3-5-21(20)25-27-30-31-28-25/h2-6,11-13,18-19H,7-10,14H2,1H3,(H,26,33)(H,27,28,30,31).

What are the key properties of N-[2-(dicyclopropylamino)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?

N-[2-(dicyclopropylamino)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 455.52 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dicyclopropylamino)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 157471994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).