N-(3-morpholin-4-ylpropyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide

C26H32N4O3 — CID 56564213

About N-(3-morpholin-4-ylpropyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide

N-(3-morpholin-4-ylpropyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide (PubChem CID 56564213) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide.

Molecular Properties

• Compound Name: N-(3-morpholin-4-ylpropyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide
• PubChem CID: 56564213
• Molecular Formula: C26H32N4O3
• Molecular Weight: 448.57 g/mol
• Exact Mass: 448.25
• IUPAC Name: N-(3-morpholin-4-ylpropyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide
• SMILES: O=C(CCCc1ncc(-c2ccccc2)o1)N(CCCN1CCOCC1)Cc1ccncc1
• InChI: InChI=1S/C26H32N4O3/c31-26(9-4-8-25-28-20-24(33-25)23-6-2-1-3-7-23)30(21-22-10-12-27-13-11-22)15-5-14-29-16-18-32-19-17-29/h1-3,6-7,10-13,20H,4-5,8-9,14-19,21H2
• InChIKey: KXLHWRNJDYXOMX-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 71.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.57
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide?

The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide (CID 56564213) is N-(3-morpholin-4-ylpropyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide.

What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide?

The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide is O=C(CCCc1ncc(-c2ccccc2)o1)N(CCCN1CCOCC1)Cc1ccncc1.

What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide?

The InChIKey is KXLHWRNJDYXOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c31-26(9-4-8-25-28-20-24(33-25)23-6-2-1-3-7-23)30(21-22-10-12-27-13-11-22)15-5-14-29-16-18-32-19-17-29/h1-3,6-7,10-13,20H,4-5,8-9,14-19,21H2.

What are the key properties of N-(3-morpholin-4-ylpropyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide?

N-(3-morpholin-4-ylpropyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide has a molecular weight of 448.57 g/mol, XLogP of 3.81, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-morpholin-4-ylpropyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide is sourced from PubChem (CID 56564213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).