3-(furan-2-ylmethylamino)-N-hydroxy-3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]propanamide

C28H28N4O5 — CID 90787584

About 3-(furan-2-ylmethylamino)-N-hydroxy-3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]propanamide

3-(furan-2-ylmethylamino)-N-hydroxy-3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]propanamide (PubChem CID 90787584) has the molecular formula C28H28N4O5 and a molecular weight of 500.56 g/mol. Its IUPAC name is 3-(furan-2-ylmethylamino)-N-hydroxy-3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]propanamide.

Molecular Properties

• Compound Name: 3-(furan-2-ylmethylamino)-N-hydroxy-3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]propanamide
• PubChem CID: 90787584
• Molecular Formula: C28H28N4O5
• Molecular Weight: 500.56 g/mol
• Exact Mass: 500.21
• IUPAC Name: 3-(furan-2-ylmethylamino)-N-hydroxy-3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]propanamide
• SMILES: Cc1cc(COc2ccc(C3=CC(C(CC(=O)NO)NCc4ccco4)ON3)cc2)c2ccccc2n1
• InChI: InChI=1S/C28H28N4O5/c1-18-13-20(23-6-2-3-7-24(23)30-18)17-36-21-10-8-19(9-11-21)25-14-27(37-32-25)26(15-28(33)31-34)29-16-22-5-4-12-35-22/h2-14,26-27,29,32,34H,15-17H2,1H3,(H,31,33)
• InChIKey: PKTYQSKORWBOGW-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 117.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.56
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylamino)-N-hydroxy-3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]propanamide?

The IUPAC name of 3-(furan-2-ylmethylamino)-N-hydroxy-3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]propanamide (CID 90787584) is 3-(furan-2-ylmethylamino)-N-hydroxy-3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]propanamide.

What is the SMILES notation for 3-(furan-2-ylmethylamino)-N-hydroxy-3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]propanamide?

The canonical SMILES for 3-(furan-2-ylmethylamino)-N-hydroxy-3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]propanamide is Cc1cc(COc2ccc(C3=CC(C(CC(=O)NO)NCc4ccco4)ON3)cc2)c2ccccc2n1.

What is the InChIKey of 3-(furan-2-ylmethylamino)-N-hydroxy-3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]propanamide?

The InChIKey is PKTYQSKORWBOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O5/c1-18-13-20(23-6-2-3-7-24(23)30-18)17-36-21-10-8-19(9-11-21)25-14-27(37-32-25)26(15-28(33)31-34)29-16-22-5-4-12-35-22/h2-14,26-27,29,32,34H,15-17H2,1H3,(H,31,33).

What are the key properties of 3-(furan-2-ylmethylamino)-N-hydroxy-3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]propanamide?

3-(furan-2-ylmethylamino)-N-hydroxy-3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]propanamide has a molecular weight of 500.56 g/mol, XLogP of 4.01, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-2-ylmethylamino)-N-hydroxy-3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 90787584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).