5-[(E)-(2-imidazol-1-yl-1-pyridin-3-ylethylidene)amino]oxypentanoic acid

C15H18N4O3 — CID 15191808

IUPAC5-[(E)-(2-imidazol-1-yl-1-pyridin-3-ylethylidene)amino]oxypentanoic acid
SMILESO=C(O)CCCCO/N=C(/Cn1ccnc1)c1cccnc1
InChIInChI=1S/C15H18N4O3/c20-15(21)5-1-2-9-22-18-14(11-19-8-7-17-12-19)13-4-3-6-16-10-13/h3-4,6-8,10,12H,1-2,5,9,11H2,(H,20,21)/b18-14-
InChIKeyOFWMJZAARSFGQL-JXAWBTAJSA-N
MW302.33 g/mol
LogP1.95
Rot. Bonds9

About 5-[(E)-(2-imidazol-1-yl-1-pyridin-3-ylethylidene)amino]oxypentanoic acid

5-[(E)-(2-imidazol-1-yl-1-pyridin-3-ylethylidene)amino]oxypentanoic acid (PubChem CID 15191808) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-[(E)-(2-imidazol-1-yl-1-pyridin-3-ylethylidene)amino]oxypentanoic acid.

Molecular Properties

Compound Name5-[(E)-(2-imidazol-1-yl-1-pyridin-3-ylethylidene)amino]oxypentanoic acid
PubChem CID15191808
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name5-[(E)-(2-imidazol-1-yl-1-pyridin-3-ylethylidene)amino]oxypentanoic acid
SMILESO=C(O)CCCCO/N=C(/Cn1ccnc1)c1cccnc1
InChIInChI=1S/C15H18N4O3/c20-15(21)5-1-2-9-22-18-14(11-19-8-7-17-12-19)13-4-3-6-16-10-13/h3-4,6-8,10,12H,1-2,5,9,11H2,(H,20,21)/b18-14-
InChIKeyOFWMJZAARSFGQL-JXAWBTAJSA-N
XLogP1.95
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

2-imidazol-1-yl-1-pyridin-3-ylethanone
CID 70494424
5-[(2-imidazol-1-yl-1-phenylpropylidene)amino]oxypentanoic acid
CID 85079634
(E)-N-(3-chloropropoxy)-2-imidazol-1-yl-1-naphthalen-2-ylethanimine;oxalic acid
CID 71608179
ethyl 2-[2-[(2-imidazol-1-yl-1-phenylethylidene)amino]oxyethoxy]acetate
CID 148545907
N-(imidazol-1-ylmethyl)pyridine-3-carboxamide
CID 86179423
2-[(4-imidazol-1-yl-1-phenylbutylidene)amino]oxyethanamine;dihydrochloride
CID 73474169
[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 4-oxo-4-phenylbutanoate
CID 70693342
N-[4-(5-imidazol-1-ylpentoxy)phenyl]pyridine-3-carboxamide
CID 13219174
6-[(1-cycloheptylidene-2-imidazol-1-ylethyl)amino]oxyhexanoic acid
CID 57274088
(Z)-2-aminooxy-7-imidazol-1-yl-6-pyridin-3-ylhept-5-enoic acid
CID 67795609
1-(2-phenyl-2-sulfonylethyl)imidazole
CID 21402211
5-ethoxy-1-pyridin-3-ylpentan-1-one
CID 121009142

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(2-imidazol-1-yl-1-pyridin-3-ylethylidene)amino]oxypentanoic acid?
The IUPAC name of 5-[(E)-(2-imidazol-1-yl-1-pyridin-3-ylethylidene)amino]oxypentanoic acid (CID 15191808) is 5-[(E)-(2-imidazol-1-yl-1-pyridin-3-ylethylidene)amino]oxypentanoic acid.
What is the SMILES notation for 5-[(E)-(2-imidazol-1-yl-1-pyridin-3-ylethylidene)amino]oxypentanoic acid?
The canonical SMILES for 5-[(E)-(2-imidazol-1-yl-1-pyridin-3-ylethylidene)amino]oxypentanoic acid is O=C(O)CCCCO/N=C(/Cn1ccnc1)c1cccnc1.
What is the InChIKey of 5-[(E)-(2-imidazol-1-yl-1-pyridin-3-ylethylidene)amino]oxypentanoic acid?
The InChIKey is OFWMJZAARSFGQL-JXAWBTAJSA-N. The full InChI is InChI=1S/C15H18N4O3/c20-15(21)5-1-2-9-22-18-14(11-19-8-7-17-12-19)13-4-3-6-16-10-13/h3-4,6-8,10,12H,1-2,5,9,11H2,(H,20,21)/b18-14-.
What are the key properties of 5-[(E)-(2-imidazol-1-yl-1-pyridin-3-ylethylidene)amino]oxypentanoic acid?
5-[(E)-(2-imidazol-1-yl-1-pyridin-3-ylethylidene)amino]oxypentanoic acid has a molecular weight of 302.33 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(2-imidazol-1-yl-1-pyridin-3-ylethylidene)amino]oxypentanoic acid is sourced from PubChem (CID 15191808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).