(Z)-2-aminooxy-7-imidazol-1-yl-6-pyridin-3-ylhept-5-enoic acid

C15H18N4O3 — CID 67795609

IUPAC(Z)-2-aminooxy-7-imidazol-1-yl-6-pyridin-3-ylhept-5-enoic acid
SMILESNOC(CC/C=C(\Cn1ccnc1)c1cccnc1)C(=O)O
InChIInChI=1S/C15H18N4O3/c16-22-14(15(20)21)5-1-3-13(10-19-8-7-18-11-19)12-4-2-6-17-9-12/h2-4,6-9,11,14H,1,5,10,16H2,(H,20,21)/b13-3+
InChIKeyLAZWXEUNCPQYKK-QLKAYGNNSA-N
MW302.33 g/mol
LogP1.49
Rot. Bonds8

About (Z)-2-aminooxy-7-imidazol-1-yl-6-pyridin-3-ylhept-5-enoic acid

(Z)-2-aminooxy-7-imidazol-1-yl-6-pyridin-3-ylhept-5-enoic acid (PubChem CID 67795609) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is (Z)-2-aminooxy-7-imidazol-1-yl-6-pyridin-3-ylhept-5-enoic acid.

Molecular Properties

Compound Name(Z)-2-aminooxy-7-imidazol-1-yl-6-pyridin-3-ylhept-5-enoic acid
PubChem CID67795609
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name(Z)-2-aminooxy-7-imidazol-1-yl-6-pyridin-3-ylhept-5-enoic acid
SMILESNOC(CC/C=C(\Cn1ccnc1)c1cccnc1)C(=O)O
InChIInChI=1S/C15H18N4O3/c16-22-14(15(20)21)5-1-3-13(10-19-8-7-18-11-19)12-4-2-6-17-9-12/h2-4,6-9,11,14H,1,5,10,16H2,(H,20,21)/b13-3+
InChIKeyLAZWXEUNCPQYKK-QLKAYGNNSA-N
XLogP1.49
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-2-aminooxy-7-imidazol-1-yl-6-pyridin-3-ylhept-5-enoic acid with MolForge

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Related Compounds

2-aminooxy-6-(3-butylphenyl)-7-imidazol-1-ylhept-5-enoic acid
CID 54255238
2-aminooxy-7-imidazol-1-yl-5-phenylhept-4-enoic acid
CID 54226104
2-aminooxy-7-imidazol-1-yl-6-phenyloct-5-enoic acid
CID 54291764
2-imidazol-1-yl-1-pyridin-3-ylethanone
CID 70494424
N-(imidazol-1-ylmethyl)pyridine-3-carboxamide
CID 86179423
(Z)-2-aminooxy-8-imidazol-1-yl-7,9-diphenylnon-6-enoic acid
CID 22849965
5-[(E)-(2-imidazol-1-yl-1-pyridin-3-ylethylidene)amino]oxypentanoic acid
CID 15191808
1-imidazol-1-yl-3-phenoxypropan-2-one
CID 135386430
1-imidazol-1-yl-4-phenylbut-3-en-2-one
CID 54468308
4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoic acid
CID 18474516
1-(2-phenyl-2-sulfonylethyl)imidazole
CID 21402211
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71788592

Frequently Asked Questions

What is the IUPAC name of (Z)-2-aminooxy-7-imidazol-1-yl-6-pyridin-3-ylhept-5-enoic acid?
The IUPAC name of (Z)-2-aminooxy-7-imidazol-1-yl-6-pyridin-3-ylhept-5-enoic acid (CID 67795609) is (Z)-2-aminooxy-7-imidazol-1-yl-6-pyridin-3-ylhept-5-enoic acid.
What is the SMILES notation for (Z)-2-aminooxy-7-imidazol-1-yl-6-pyridin-3-ylhept-5-enoic acid?
The canonical SMILES for (Z)-2-aminooxy-7-imidazol-1-yl-6-pyridin-3-ylhept-5-enoic acid is NOC(CC/C=C(\Cn1ccnc1)c1cccnc1)C(=O)O.
What is the InChIKey of (Z)-2-aminooxy-7-imidazol-1-yl-6-pyridin-3-ylhept-5-enoic acid?
The InChIKey is LAZWXEUNCPQYKK-QLKAYGNNSA-N. The full InChI is InChI=1S/C15H18N4O3/c16-22-14(15(20)21)5-1-3-13(10-19-8-7-18-11-19)12-4-2-6-17-9-12/h2-4,6-9,11,14H,1,5,10,16H2,(H,20,21)/b13-3+.
What are the key properties of (Z)-2-aminooxy-7-imidazol-1-yl-6-pyridin-3-ylhept-5-enoic acid?
(Z)-2-aminooxy-7-imidazol-1-yl-6-pyridin-3-ylhept-5-enoic acid has a molecular weight of 302.33 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-aminooxy-7-imidazol-1-yl-6-pyridin-3-ylhept-5-enoic acid is sourced from PubChem (CID 67795609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).