4-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoic acid

C17H11ClN2O4 — CID 4277075

IUPAC4-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoic acid
SMILESO=C(O)c1ccc(/N=C/c2nc(-c3ccc(Cl)cc3)oc2O)cc1
InChIInChI=1S/C17H11ClN2O4/c18-12-5-1-10(2-6-12)15-20-14(17(23)24-15)9-19-13-7-3-11(4-8-13)16(21)22/h1-9,23H,(H,21,22)/b19-9+
InChIKeyHKEOQQPDIOIVKC-DJKKODMXSA-N
MW342.74 g/mol
LogP4.15
Rot. Bonds4

About 4-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoic acid

4-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoic acid (PubChem CID 4277075) has the molecular formula C17H11ClN2O4 and a molecular weight of 342.74 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoic acid
PubChem CID4277075
Molecular FormulaC17H11ClN2O4
Molecular Weight342.74 g/mol
Exact Mass342.04
IUPAC Name4-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoic acid
SMILESO=C(O)c1ccc(/N=C/c2nc(-c3ccc(Cl)cc3)oc2O)cc1
InChIInChI=1S/C17H11ClN2O4/c18-12-5-1-10(2-6-12)15-20-14(17(23)24-15)9-19-13-7-3-11(4-8-13)16(21)22/h1-9,23H,(H,21,22)/b19-9+
InChIKeyHKEOQQPDIOIVKC-DJKKODMXSA-N
XLogP4.15
TPSA95.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.74
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoic acid?
The IUPAC name of 4-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoic acid (CID 4277075) is 4-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoic acid.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoic acid?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoic acid is O=C(O)c1ccc(/N=C/c2nc(-c3ccc(Cl)cc3)oc2O)cc1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoic acid?
The InChIKey is HKEOQQPDIOIVKC-DJKKODMXSA-N. The full InChI is InChI=1S/C17H11ClN2O4/c18-12-5-1-10(2-6-12)15-20-14(17(23)24-15)9-19-13-7-3-11(4-8-13)16(21)22/h1-9,23H,(H,21,22)/b19-9+.
What are the key properties of 4-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoic acid?
4-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoic acid has a molecular weight of 342.74 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoic acid is sourced from PubChem (CID 4277075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).