N-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]propanamide

C24H25N5O5 — CID 20819397

About N-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]propanamide

N-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]propanamide (PubChem CID 20819397) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is N-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]propanamide
• PubChem CID: 20819397
• Molecular Formula: C24H25N5O5
• Molecular Weight: 463.49 g/mol
• Exact Mass: 463.19
• IUPAC Name: N-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]propanamide
• SMILES: COc1ccc(-c2cc(CCC(=O)NCC(O)CNc3n[nH]c(=O)c4ccccc34)no2)cc1
• InChI: InChI=1S/C24H25N5O5/c1-33-18-9-6-15(7-10-18)21-12-16(29-34-21)8-11-22(31)25-13-17(30)14-26-23-19-4-2-3-5-20(19)24(32)28-27-23/h2-7,9-10,12,17,30H,8,11,13-14H2,1H3,(H,25,31)(H,26,27)(H,28,32)
• InChIKey: YUIIZCFRZKOHNU-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 142.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.49
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]propanamide?

The IUPAC name of N-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]propanamide (CID 20819397) is N-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]propanamide.

What is the SMILES notation for N-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]propanamide?

The canonical SMILES for N-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]propanamide is COc1ccc(-c2cc(CCC(=O)NCC(O)CNc3n[nH]c(=O)c4ccccc34)no2)cc1.

What is the InChIKey of N-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]propanamide?

The InChIKey is YUIIZCFRZKOHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5/c1-33-18-9-6-15(7-10-18)21-12-16(29-34-21)8-11-22(31)25-13-17(30)14-26-23-19-4-2-3-5-20(19)24(32)28-27-23/h2-7,9-10,12,17,30H,8,11,13-14H2,1H3,(H,25,31)(H,26,27)(H,28,32).

What are the key properties of N-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]propanamide?

N-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]propanamide has a molecular weight of 463.49 g/mol, XLogP of 2.11, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]propanamide is sourced from PubChem (CID 20819397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).