(Z)-2-aminooxy-8-(3-chlorophenyl)-6-cyclohexyl-7-imidazol-1-yloct-5-enoic acid

C23H30ClN3O3 — CID 67849046

IUPAC(Z)-2-aminooxy-8-(3-chlorophenyl)-6-cyclohexyl-7-imidazol-1-yloct-5-enoic acid
SMILESNOC(CC/C=C(/C1CCCCC1)C(Cc1cccc(Cl)c1)n1ccnc1)C(=O)O
InChIInChI=1S/C23H30ClN3O3/c24-19-9-4-6-17(14-19)15-21(27-13-12-26-16-27)20(18-7-2-1-3-8-18)10-5-11-22(30-25)23(28)29/h4,6,9-10,12-14,16,18,21-22H,1-3,5,7-8,11,15,25H2,(H,28,29)/b20-10-
InChIKeyPBVHMKFKQOUTSF-JMIUGGIZSA-N
MW431.96 g/mol
LogP4.95
Rot. Bonds10

About (Z)-2-aminooxy-8-(3-chlorophenyl)-6-cyclohexyl-7-imidazol-1-yloct-5-enoic acid

(Z)-2-aminooxy-8-(3-chlorophenyl)-6-cyclohexyl-7-imidazol-1-yloct-5-enoic acid (PubChem CID 67849046) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is (Z)-2-aminooxy-8-(3-chlorophenyl)-6-cyclohexyl-7-imidazol-1-yloct-5-enoic acid.

Molecular Properties

Compound Name(Z)-2-aminooxy-8-(3-chlorophenyl)-6-cyclohexyl-7-imidazol-1-yloct-5-enoic acid
PubChem CID67849046
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC Name(Z)-2-aminooxy-8-(3-chlorophenyl)-6-cyclohexyl-7-imidazol-1-yloct-5-enoic acid
SMILESNOC(CC/C=C(/C1CCCCC1)C(Cc1cccc(Cl)c1)n1ccnc1)C(=O)O
InChIInChI=1S/C23H30ClN3O3/c24-19-9-4-6-17(14-19)15-21(27-13-12-26-16-27)20(18-7-2-1-3-8-18)10-5-11-22(30-25)23(28)29/h4,6,9-10,12-14,16,18,21-22H,1-3,5,7-8,11,15,25H2,(H,28,29)/b20-10-
InChIKeyPBVHMKFKQOUTSF-JMIUGGIZSA-N
XLogP4.95
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 54.95
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-aminooxy-8-(3-chlorophenyl)-6-cyclohexyl-7-imidazol-1-yloct-5-enoic acid?
The IUPAC name of (Z)-2-aminooxy-8-(3-chlorophenyl)-6-cyclohexyl-7-imidazol-1-yloct-5-enoic acid (CID 67849046) is (Z)-2-aminooxy-8-(3-chlorophenyl)-6-cyclohexyl-7-imidazol-1-yloct-5-enoic acid.
What is the SMILES notation for (Z)-2-aminooxy-8-(3-chlorophenyl)-6-cyclohexyl-7-imidazol-1-yloct-5-enoic acid?
The canonical SMILES for (Z)-2-aminooxy-8-(3-chlorophenyl)-6-cyclohexyl-7-imidazol-1-yloct-5-enoic acid is NOC(CC/C=C(/C1CCCCC1)C(Cc1cccc(Cl)c1)n1ccnc1)C(=O)O.
What is the InChIKey of (Z)-2-aminooxy-8-(3-chlorophenyl)-6-cyclohexyl-7-imidazol-1-yloct-5-enoic acid?
The InChIKey is PBVHMKFKQOUTSF-JMIUGGIZSA-N. The full InChI is InChI=1S/C23H30ClN3O3/c24-19-9-4-6-17(14-19)15-21(27-13-12-26-16-27)20(18-7-2-1-3-8-18)10-5-11-22(30-25)23(28)29/h4,6,9-10,12-14,16,18,21-22H,1-3,5,7-8,11,15,25H2,(H,28,29)/b20-10-.
What are the key properties of (Z)-2-aminooxy-8-(3-chlorophenyl)-6-cyclohexyl-7-imidazol-1-yloct-5-enoic acid?
(Z)-2-aminooxy-8-(3-chlorophenyl)-6-cyclohexyl-7-imidazol-1-yloct-5-enoic acid has a molecular weight of 431.96 g/mol, XLogP of 4.95, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-aminooxy-8-(3-chlorophenyl)-6-cyclohexyl-7-imidazol-1-yloct-5-enoic acid is sourced from PubChem (CID 67849046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).