(2E)-2-[cyclohexyl-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]methoxy]iminoacetic acid

C25H26N2O5 — CID 10646479

IUPAC(2E)-2-[cyclohexyl-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]methoxy]iminoacetic acid
SMILESO=C(O)/C=N/OC(c1ccc(OCc2cc(-c3ccccc3)on2)cc1)C1CCCCC1
InChIInChI=1S/C25H26N2O5/c28-24(29)16-26-32-25(19-9-5-2-6-10-19)20-11-13-22(14-12-20)30-17-21-15-23(31-27-21)18-7-3-1-4-8-18/h1,3-4,7-8,11-16,19,25H,2,5-6,9-10,17H2,(H,28,29)/b26-16+
InChIKeyOFQHZQSNMFGPLV-WGOQTCKBSA-N
MW434.49 g/mol
LogP5.63
Rot. Bonds9

About (2E)-2-[cyclohexyl-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]methoxy]iminoacetic acid

(2E)-2-[cyclohexyl-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]methoxy]iminoacetic acid (PubChem CID 10646479) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is (2E)-2-[cyclohexyl-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]methoxy]iminoacetic acid.

Molecular Properties

Compound Name(2E)-2-[cyclohexyl-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]methoxy]iminoacetic acid
PubChem CID10646479
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name(2E)-2-[cyclohexyl-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]methoxy]iminoacetic acid
SMILESO=C(O)/C=N/OC(c1ccc(OCc2cc(-c3ccccc3)on2)cc1)C1CCCCC1
InChIInChI=1S/C25H26N2O5/c28-24(29)16-26-32-25(19-9-5-2-6-10-19)20-11-13-22(14-12-20)30-17-21-15-23(31-27-21)18-7-3-1-4-8-18/h1,3-4,7-8,11-16,19,25H,2,5-6,9-10,17H2,(H,28,29)/b26-16+
InChIKeyOFQHZQSNMFGPLV-WGOQTCKBSA-N
XLogP5.63
TPSA94.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (2E)-2-[cyclohexyl-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]methoxy]iminoacetic acid?
The IUPAC name of (2E)-2-[cyclohexyl-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]methoxy]iminoacetic acid (CID 10646479) is (2E)-2-[cyclohexyl-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]methoxy]iminoacetic acid.
What is the SMILES notation for (2E)-2-[cyclohexyl-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]methoxy]iminoacetic acid?
The canonical SMILES for (2E)-2-[cyclohexyl-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]methoxy]iminoacetic acid is O=C(O)/C=N/OC(c1ccc(OCc2cc(-c3ccccc3)on2)cc1)C1CCCCC1.
What is the InChIKey of (2E)-2-[cyclohexyl-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]methoxy]iminoacetic acid?
The InChIKey is OFQHZQSNMFGPLV-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H26N2O5/c28-24(29)16-26-32-25(19-9-5-2-6-10-19)20-11-13-22(14-12-20)30-17-21-15-23(31-27-21)18-7-3-1-4-8-18/h1,3-4,7-8,11-16,19,25H,2,5-6,9-10,17H2,(H,28,29)/b26-16+.
What are the key properties of (2E)-2-[cyclohexyl-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]methoxy]iminoacetic acid?
(2E)-2-[cyclohexyl-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]methoxy]iminoacetic acid has a molecular weight of 434.49 g/mol, XLogP of 5.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[cyclohexyl-[4-[(5-phenyl-1,2-oxazol-3-yl)methoxy]phenyl]methoxy]iminoacetic acid is sourced from PubChem (CID 10646479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).