5-[(Z)-(2-imidazol-1-yl-1-phenylethylidene)amino]oxypentanoic acid

C16H19N3O3 — CID 10402603

IUPAC5-[(Z)-(2-imidazol-1-yl-1-phenylethylidene)amino]oxypentanoic acid
SMILESO=C(O)CCCCO/N=C(\Cn1ccnc1)c1ccccc1
InChIInChI=1S/C16H19N3O3/c20-16(21)8-4-5-11-22-18-15(12-19-10-9-17-13-19)14-6-2-1-3-7-14/h1-3,6-7,9-10,13H,4-5,8,11-12H2,(H,20,21)/b18-15+
InChIKeyMUDPLRYELCSFII-OBGWFSINSA-N
MW301.35 g/mol
LogP2.56
Rot. Bonds9

About 5-[(Z)-(2-imidazol-1-yl-1-phenylethylidene)amino]oxypentanoic acid

5-[(Z)-(2-imidazol-1-yl-1-phenylethylidene)amino]oxypentanoic acid (PubChem CID 10402603) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-[(Z)-(2-imidazol-1-yl-1-phenylethylidene)amino]oxypentanoic acid.

Molecular Properties

Compound Name5-[(Z)-(2-imidazol-1-yl-1-phenylethylidene)amino]oxypentanoic acid
PubChem CID10402603
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name5-[(Z)-(2-imidazol-1-yl-1-phenylethylidene)amino]oxypentanoic acid
SMILESO=C(O)CCCCO/N=C(\Cn1ccnc1)c1ccccc1
InChIInChI=1S/C16H19N3O3/c20-16(21)8-4-5-11-22-18-15(12-19-10-9-17-13-19)14-6-2-1-3-7-14/h1-3,6-7,9-10,13H,4-5,8,11-12H2,(H,20,21)/b18-15+
InChIKeyMUDPLRYELCSFII-OBGWFSINSA-N
XLogP2.56
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(2-imidazol-1-yl-1-phenylethylidene)amino]oxypentanoic acid?
The IUPAC name of 5-[(Z)-(2-imidazol-1-yl-1-phenylethylidene)amino]oxypentanoic acid (CID 10402603) is 5-[(Z)-(2-imidazol-1-yl-1-phenylethylidene)amino]oxypentanoic acid.
What is the SMILES notation for 5-[(Z)-(2-imidazol-1-yl-1-phenylethylidene)amino]oxypentanoic acid?
The canonical SMILES for 5-[(Z)-(2-imidazol-1-yl-1-phenylethylidene)amino]oxypentanoic acid is O=C(O)CCCCO/N=C(\Cn1ccnc1)c1ccccc1.
What is the InChIKey of 5-[(Z)-(2-imidazol-1-yl-1-phenylethylidene)amino]oxypentanoic acid?
The InChIKey is MUDPLRYELCSFII-OBGWFSINSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-16(21)8-4-5-11-22-18-15(12-19-10-9-17-13-19)14-6-2-1-3-7-14/h1-3,6-7,9-10,13H,4-5,8,11-12H2,(H,20,21)/b18-15+.
What are the key properties of 5-[(Z)-(2-imidazol-1-yl-1-phenylethylidene)amino]oxypentanoic acid?
5-[(Z)-(2-imidazol-1-yl-1-phenylethylidene)amino]oxypentanoic acid has a molecular weight of 301.35 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(2-imidazol-1-yl-1-phenylethylidene)amino]oxypentanoic acid is sourced from PubChem (CID 10402603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).