4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide

C11H8Cl2N2O3 — CID 17095605

IUPAC4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)Nc2cc(Cl)ccc2O)c1Cl
InChIInChI=1S/C11H8Cl2N2O3/c1-5-9(13)10(18-15-5)11(17)14-7-4-6(12)2-3-8(7)16/h2-4,16H,1H3,(H,14,17)
InChIKeyZNCCHBGITUKHCJ-UHFFFAOYSA-N
MW287.10 g/mol
LogP3.25
Rot. Bonds2

About 4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide

4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 17095605) has the molecular formula C11H8Cl2N2O3 and a molecular weight of 287.10 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID17095605
Molecular FormulaC11H8Cl2N2O3
Molecular Weight287.10 g/mol
Exact Mass285.99
IUPAC Name4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)Nc2cc(Cl)ccc2O)c1Cl
InChIInChI=1S/C11H8Cl2N2O3/c1-5-9(13)10(18-15-5)11(17)14-7-4-6(12)2-3-8(7)16/h2-4,16H,1H3,(H,14,17)
InChIKeyZNCCHBGITUKHCJ-UHFFFAOYSA-N
XLogP3.25
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099
N-(2,5-dichlorophenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110692026
N-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113446
4-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 65488539
N-(5-chloro-2-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 12639723
4-chloro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 17095611
4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
CID 19262709
N-(5-chloro-2-hydroxyphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 56581492
N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 16678665
N-(4-chloro-2-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 113257836
N-(5-chloro-2-hydroxyphenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 49081050
N-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide
CID 19262175

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 17095605) is 4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1noc(C(=O)Nc2cc(Cl)ccc2O)c1Cl.
What is the InChIKey of 4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is ZNCCHBGITUKHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O3/c1-5-9(13)10(18-15-5)11(17)14-7-4-6(12)2-3-8(7)16/h2-4,16H,1H3,(H,14,17).
What are the key properties of 4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 287.10 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17095605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).