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

C17H11ClN2O5 — CID 3476007

IUPAC5-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(/N=C/c2nc(-c3ccc(Cl)cc3)oc2O)ccc1O
InChIInChI=1S/C17H11ClN2O5/c18-10-3-1-9(2-4-10)15-20-13(17(24)25-15)8-19-11-5-6-14(21)12(7-11)16(22)23/h1-8,21,24H,(H,22,23)/b19-8+
InChIKeyUXXLNSYSFHDTBX-UFWORHAWSA-N
MW358.74 g/mol
LogP3.86
Rot. Bonds4

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

5-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-2-hydroxybenzoic acid (PubChem CID 3476007) has the molecular formula C17H11ClN2O5 and a molecular weight of 358.74 g/mol. Its IUPAC name is 5-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-2-hydroxybenzoic acid
PubChem CID3476007
Molecular FormulaC17H11ClN2O5
Molecular Weight358.74 g/mol
Exact Mass358.04
IUPAC Name5-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(/N=C/c2nc(-c3ccc(Cl)cc3)oc2O)ccc1O
InChIInChI=1S/C17H11ClN2O5/c18-10-3-1-9(2-4-10)15-20-13(17(24)25-15)8-19-11-5-6-14(21)12(7-11)16(22)23/h1-8,21,24H,(H,22,23)/b19-8+
InChIKeyUXXLNSYSFHDTBX-UFWORHAWSA-N
XLogP3.86
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.74
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 5-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-2-hydroxybenzoic acid (CID 3476007) is 5-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-2-hydroxybenzoic acid is O=C(O)c1cc(/N=C/c2nc(-c3ccc(Cl)cc3)oc2O)ccc1O.
What is the InChIKey of 5-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-2-hydroxybenzoic acid?
The InChIKey is UXXLNSYSFHDTBX-UFWORHAWSA-N. The full InChI is InChI=1S/C17H11ClN2O5/c18-10-3-1-9(2-4-10)15-20-13(17(24)25-15)8-19-11-5-6-14(21)12(7-11)16(22)23/h1-8,21,24H,(H,22,23)/b19-8+.
What are the key properties of 5-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-2-hydroxybenzoic acid?
5-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-2-hydroxybenzoic acid has a molecular weight of 358.74 g/mol, XLogP of 3.86, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 3476007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).