N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C20H22N4O4 — CID 24613317

About N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 24613317) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

• Compound Name: N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
• PubChem CID: 24613317
• Molecular Formula: C20H22N4O4
• Molecular Weight: 382.42 g/mol
• Exact Mass: 382.16
• IUPAC Name: N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
• SMILES: CC(C(=O)NCc1ccc(N2CCOCC2)nc1)n1c(=O)oc2ccccc21
• InChI: InChI=1S/C20H22N4O4/c1-14(24-16-4-2-3-5-17(16)28-20(24)26)19(25)22-13-15-6-7-18(21-12-15)23-8-10-27-11-9-23/h2-7,12,14H,8-11,13H2,1H3,(H,22,25)
• InChIKey: BIHMIMZSLDHCMB-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 89.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.42
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?

The IUPAC name of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 24613317) is N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

What is the SMILES notation for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?

The canonical SMILES for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CC(C(=O)NCc1ccc(N2CCOCC2)nc1)n1c(=O)oc2ccccc21.

What is the InChIKey of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?

The InChIKey is BIHMIMZSLDHCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-14(24-16-4-2-3-5-17(16)28-20(24)26)19(25)22-13-15-6-7-18(21-12-15)23-8-10-27-11-9-23/h2-7,12,14H,8-11,13H2,1H3,(H,22,25).

What are the key properties of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?

N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 382.42 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 24613317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).