(4Z)-3-(4-chlorophenyl)-4-[(2,4-dihydroxyphenyl)methylidene]-1,2-oxazol-5-one

C16H10ClNO4 — CID 135472384

IUPAC(4Z)-3-(4-chlorophenyl)-4-[(2,4-dihydroxyphenyl)methylidene]-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1ccc(O)cc1O
InChIInChI=1S/C16H10ClNO4/c17-11-4-1-9(2-5-11)15-13(16(21)22-18-15)7-10-3-6-12(19)8-14(10)20/h1-8,19-20H/b13-7-
InChIKeyXXEKRIUBSVPCTH-QPEQYQDCSA-N
MW315.71 g/mol
LogP3.10
Rot. Bonds2

About (4Z)-3-(4-chlorophenyl)-4-[(2,4-dihydroxyphenyl)methylidene]-1,2-oxazol-5-one

(4Z)-3-(4-chlorophenyl)-4-[(2,4-dihydroxyphenyl)methylidene]-1,2-oxazol-5-one (PubChem CID 135472384) has the molecular formula C16H10ClNO4 and a molecular weight of 315.71 g/mol. Its IUPAC name is (4Z)-3-(4-chlorophenyl)-4-[(2,4-dihydroxyphenyl)methylidene]-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-3-(4-chlorophenyl)-4-[(2,4-dihydroxyphenyl)methylidene]-1,2-oxazol-5-one
PubChem CID135472384
Molecular FormulaC16H10ClNO4
Molecular Weight315.71 g/mol
Exact Mass315.03
IUPAC Name(4Z)-3-(4-chlorophenyl)-4-[(2,4-dihydroxyphenyl)methylidene]-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1ccc(O)cc1O
InChIInChI=1S/C16H10ClNO4/c17-11-4-1-9(2-5-11)15-13(16(21)22-18-15)7-10-3-6-12(19)8-14(10)20/h1-8,19-20H/b13-7-
InChIKeyXXEKRIUBSVPCTH-QPEQYQDCSA-N
XLogP3.10
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.71
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

Analyze (4Z)-3-(4-chlorophenyl)-4-[(2,4-dihydroxyphenyl)methylidene]-1,2-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-(4-chlorophenyl)-4-[(2,4-dihydroxyphenyl)methylidene]-1,2-oxazol-5-one?
The IUPAC name of (4Z)-3-(4-chlorophenyl)-4-[(2,4-dihydroxyphenyl)methylidene]-1,2-oxazol-5-one (CID 135472384) is (4Z)-3-(4-chlorophenyl)-4-[(2,4-dihydroxyphenyl)methylidene]-1,2-oxazol-5-one.
What is the SMILES notation for (4Z)-3-(4-chlorophenyl)-4-[(2,4-dihydroxyphenyl)methylidene]-1,2-oxazol-5-one?
The canonical SMILES for (4Z)-3-(4-chlorophenyl)-4-[(2,4-dihydroxyphenyl)methylidene]-1,2-oxazol-5-one is O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1ccc(O)cc1O.
What is the InChIKey of (4Z)-3-(4-chlorophenyl)-4-[(2,4-dihydroxyphenyl)methylidene]-1,2-oxazol-5-one?
The InChIKey is XXEKRIUBSVPCTH-QPEQYQDCSA-N. The full InChI is InChI=1S/C16H10ClNO4/c17-11-4-1-9(2-5-11)15-13(16(21)22-18-15)7-10-3-6-12(19)8-14(10)20/h1-8,19-20H/b13-7-.
What are the key properties of (4Z)-3-(4-chlorophenyl)-4-[(2,4-dihydroxyphenyl)methylidene]-1,2-oxazol-5-one?
(4Z)-3-(4-chlorophenyl)-4-[(2,4-dihydroxyphenyl)methylidene]-1,2-oxazol-5-one has a molecular weight of 315.71 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-(4-chlorophenyl)-4-[(2,4-dihydroxyphenyl)methylidene]-1,2-oxazol-5-one is sourced from PubChem (CID 135472384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).