(Z)-2-aminooxy-6-cyclohexyl-8-(4-fluorophenyl)-7-imidazol-1-yloct-5-enoic acid

C23H30FN3O3 — CID 22849961

IUPAC(Z)-2-aminooxy-6-cyclohexyl-8-(4-fluorophenyl)-7-imidazol-1-yloct-5-enoic acid
SMILESNOC(CC/C=C(/C1CCCCC1)C(Cc1ccc(F)cc1)n1ccnc1)C(=O)O
InChIInChI=1S/C23H30FN3O3/c24-19-11-9-17(10-12-19)15-21(27-14-13-26-16-27)20(18-5-2-1-3-6-18)7-4-8-22(30-25)23(28)29/h7,9-14,16,18,21-22H,1-6,8,15,25H2,(H,28,29)/b20-7-
InChIKeyLENJQZKSFSDKNJ-SCDVKCJHSA-N
MW415.51 g/mol
LogP4.44
Rot. Bonds10

About (Z)-2-aminooxy-6-cyclohexyl-8-(4-fluorophenyl)-7-imidazol-1-yloct-5-enoic acid

(Z)-2-aminooxy-6-cyclohexyl-8-(4-fluorophenyl)-7-imidazol-1-yloct-5-enoic acid (PubChem CID 22849961) has the molecular formula C23H30FN3O3 and a molecular weight of 415.51 g/mol. Its IUPAC name is (Z)-2-aminooxy-6-cyclohexyl-8-(4-fluorophenyl)-7-imidazol-1-yloct-5-enoic acid.

Molecular Properties

Compound Name(Z)-2-aminooxy-6-cyclohexyl-8-(4-fluorophenyl)-7-imidazol-1-yloct-5-enoic acid
PubChem CID22849961
Molecular FormulaC23H30FN3O3
Molecular Weight415.51 g/mol
Exact Mass415.23
IUPAC Name(Z)-2-aminooxy-6-cyclohexyl-8-(4-fluorophenyl)-7-imidazol-1-yloct-5-enoic acid
SMILESNOC(CC/C=C(/C1CCCCC1)C(Cc1ccc(F)cc1)n1ccnc1)C(=O)O
InChIInChI=1S/C23H30FN3O3/c24-19-11-9-17(10-12-19)15-21(27-14-13-26-16-27)20(18-5-2-1-3-6-18)7-4-8-22(30-25)23(28)29/h7,9-14,16,18,21-22H,1-6,8,15,25H2,(H,28,29)/b20-7-
InChIKeyLENJQZKSFSDKNJ-SCDVKCJHSA-N
XLogP4.44
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-aminooxy-7-cyclohexyl-8-imidazol-1-yl-9-phenylnon-6-enoic acid
CID 54011171
(Z)-2-aminooxy-7-cyclohexyl-8-imidazol-1-yl-9-phenylnon-6-enoic acid
CID 22849964
(Z)-2-aminooxy-8-(3-chlorophenyl)-6-cyclohexyl-7-imidazol-1-yloct-5-enoic acid
CID 67849046
5-aminooxy-6-cyclohexyl-8-(4-fluorophenyl)-7-imidazol-1-yloct-5-enoic acid
CID 70092413
(Z)-2-aminooxy-8-imidazol-1-yl-7,9-diphenylnon-6-enoic acid
CID 22849965
2-aminooxy-7-imidazol-1-yl-6-phenyloct-5-enoic acid
CID 54291764
(2R)-2-imidazol-1-yl-1,3-diphenylpropan-1-one
CID 124638329
5-(4-fluorophenyl)-4-imidazol-1-yl-3-oxo-2,2-dipropylpentanenitrile
CID 70507783
sodium 5-[(E)-[3-(4-fluorophenyl)-2-imidazol-1-yl-1-phenylpropylidene]amino]oxypentanoate
CID 172939001
(2S)-4-(4-cyclohexylphenyl)-2-imidazol-1-yl-4-oxobutanoic acid
CID 683165
2-aminooxy-6-(3-butylphenyl)-7-imidazol-1-ylhept-5-enoic acid
CID 54255238
[(3S)-3-(4-fluorophenyl)azepan-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 99873260

Frequently Asked Questions

What is the IUPAC name of (Z)-2-aminooxy-6-cyclohexyl-8-(4-fluorophenyl)-7-imidazol-1-yloct-5-enoic acid?
The IUPAC name of (Z)-2-aminooxy-6-cyclohexyl-8-(4-fluorophenyl)-7-imidazol-1-yloct-5-enoic acid (CID 22849961) is (Z)-2-aminooxy-6-cyclohexyl-8-(4-fluorophenyl)-7-imidazol-1-yloct-5-enoic acid.
What is the SMILES notation for (Z)-2-aminooxy-6-cyclohexyl-8-(4-fluorophenyl)-7-imidazol-1-yloct-5-enoic acid?
The canonical SMILES for (Z)-2-aminooxy-6-cyclohexyl-8-(4-fluorophenyl)-7-imidazol-1-yloct-5-enoic acid is NOC(CC/C=C(/C1CCCCC1)C(Cc1ccc(F)cc1)n1ccnc1)C(=O)O.
What is the InChIKey of (Z)-2-aminooxy-6-cyclohexyl-8-(4-fluorophenyl)-7-imidazol-1-yloct-5-enoic acid?
The InChIKey is LENJQZKSFSDKNJ-SCDVKCJHSA-N. The full InChI is InChI=1S/C23H30FN3O3/c24-19-11-9-17(10-12-19)15-21(27-14-13-26-16-27)20(18-5-2-1-3-6-18)7-4-8-22(30-25)23(28)29/h7,9-14,16,18,21-22H,1-6,8,15,25H2,(H,28,29)/b20-7-.
What are the key properties of (Z)-2-aminooxy-6-cyclohexyl-8-(4-fluorophenyl)-7-imidazol-1-yloct-5-enoic acid?
(Z)-2-aminooxy-6-cyclohexyl-8-(4-fluorophenyl)-7-imidazol-1-yloct-5-enoic acid has a molecular weight of 415.51 g/mol, XLogP of 4.44, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-aminooxy-6-cyclohexyl-8-(4-fluorophenyl)-7-imidazol-1-yloct-5-enoic acid is sourced from PubChem (CID 22849961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).