5-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoic acid

C16H25N3O3 — CID 10244703

IUPAC5-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoic acid
SMILESO=C(O)CCCCO/N=C(/Cn1ccnc1)C1CCCCC1
InChIInChI=1S/C16H25N3O3/c20-16(21)8-4-5-11-22-18-15(12-19-10-9-17-13-19)14-6-2-1-3-7-14/h9-10,13-14H,1-8,11-12H2,(H,20,21)/b18-15-
InChIKeyMIINYQJOYVSAKR-SDXDJHTJSA-N
MW307.39 g/mol
LogP3.09
Rot. Bonds9

About 5-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoic acid

5-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoic acid (PubChem CID 10244703) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 5-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoic acid.

Molecular Properties

Compound Name5-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoic acid
PubChem CID10244703
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name5-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoic acid
SMILESO=C(O)CCCCO/N=C(/Cn1ccnc1)C1CCCCC1
InChIInChI=1S/C16H25N3O3/c20-16(21)8-4-5-11-22-18-15(12-19-10-9-17-13-19)14-6-2-1-3-7-14/h9-10,13-14H,1-8,11-12H2,(H,20,21)/b18-15-
InChIKeyMIINYQJOYVSAKR-SDXDJHTJSA-N
XLogP3.09
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.09
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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Related Compounds

5-[1-Imidazol-1-ylmethyl-hept-(E)-ylideneaminooxy]-pentanoic acid
CID 10018213
5-[1-Cyclohexyl-2-imidazol-1-yl-eth-(Z)-ylideneaminooxy]-pentanoic acid
CID 10244704
5-[1-Imidazol-1-ylmethyl-hept-(Z)-ylideneaminooxy]-pentanoic acid
CID 10448061
1-(6-Imidazol-1-ylhexyl)cyclohexane-1-carboxylic acid;hydrochloride
CID 12870429
5-[1,3-Dicyclohexyl-2-imidazol-1-yl-prop-(E)-ylideneaminooxy]-pentanoic acid
CID 10024132
4-[1-Cyclohexyl-2-imidazol-1-yl-eth-(Z)-ylideneaminooxy]-butyric acid
CID 9971633
4-[1-Cyclohexyl-2-imidazol-1-yl-eth-(E)-ylideneaminooxy]-butyric acid
CID 10424476
6-[1-Cyclohexyl-2-imidazol-1-yl-eth-(Z)-ylideneaminooxy]-hexanoic acid
CID 11723604
1-(6-Imidazol-1-yl-hexyl)-cyclohexanecarboxylic acid; hydrochloride
CID 12870428
ethyl 5-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoate
CID 10042598
ethyl 4-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxybutanoate
CID 10064691
ethyl 4-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxybutanoate
CID 10314004

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoic acid?
The IUPAC name of 5-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoic acid (CID 10244703) is 5-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoic acid.
What is the SMILES notation for 5-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoic acid?
The canonical SMILES for 5-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoic acid is O=C(O)CCCCO/N=C(/Cn1ccnc1)C1CCCCC1.
What is the InChIKey of 5-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoic acid?
The InChIKey is MIINYQJOYVSAKR-SDXDJHTJSA-N. The full InChI is InChI=1S/C16H25N3O3/c20-16(21)8-4-5-11-22-18-15(12-19-10-9-17-13-19)14-6-2-1-3-7-14/h9-10,13-14H,1-8,11-12H2,(H,20,21)/b18-15-.
What are the key properties of 5-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoic acid?
5-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoic acid has a molecular weight of 307.39 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoic acid is sourced from PubChem (CID 10244703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).