N-[4-[ethylamino(phenyl)methyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide

C25H26N4O2 — CID 139923399

About N-[4-[ethylamino(phenyl)methyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide

N-[4-[ethylamino(phenyl)methyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide (PubChem CID 139923399) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[4-[ethylamino(phenyl)methyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-[ethylamino(phenyl)methyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide
• PubChem CID: 139923399
• Molecular Formula: C25H26N4O2
• Molecular Weight: 414.51 g/mol
• Exact Mass: 414.21
• IUPAC Name: N-[4-[ethylamino(phenyl)methyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide
• SMILES: CCNC(c1ccccc1)c1ccc(NC(=O)CC2CC(c3cccnc3)=NO2)cc1
• InChI: InChI=1S/C25H26N4O2/c1-2-27-25(18-7-4-3-5-8-18)19-10-12-21(13-11-19)28-24(30)16-22-15-23(29-31-22)20-9-6-14-26-17-20/h3-14,17,22,25,27H,2,15-16H2,1H3,(H,28,30)
• InChIKey: VWVYGGGJVSDAEX-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 75.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.51
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethylamino(phenyl)methyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide?

The IUPAC name of N-[4-[ethylamino(phenyl)methyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide (CID 139923399) is N-[4-[ethylamino(phenyl)methyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide.

What is the SMILES notation for N-[4-[ethylamino(phenyl)methyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide?

The canonical SMILES for N-[4-[ethylamino(phenyl)methyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide is CCNC(c1ccccc1)c1ccc(NC(=O)CC2CC(c3cccnc3)=NO2)cc1.

What is the InChIKey of N-[4-[ethylamino(phenyl)methyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide?

The InChIKey is VWVYGGGJVSDAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-2-27-25(18-7-4-3-5-8-18)19-10-12-21(13-11-19)28-24(30)16-22-15-23(29-31-22)20-9-6-14-26-17-20/h3-14,17,22,25,27H,2,15-16H2,1H3,(H,28,30).

What are the key properties of N-[4-[ethylamino(phenyl)methyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide?

N-[4-[ethylamino(phenyl)methyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide has a molecular weight of 414.51 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[ethylamino(phenyl)methyl]phenyl]-2-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 139923399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).