2-(2-chloro-4-iodoanilino)-1,3-oxazole-4-carboxylic acid

C10H6ClIN2O3 — CID 107607038

IUPAC2-(2-chloro-4-iodoanilino)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(Nc2ccc(I)cc2Cl)n1
InChIInChI=1S/C10H6ClIN2O3/c11-6-3-5(12)1-2-7(6)13-10-14-8(4-17-10)9(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKeyUDGVLGKUAZVVFO-UHFFFAOYSA-N
MW364.53 g/mol
LogP3.37
Rot. Bonds3

About 2-(2-chloro-4-iodoanilino)-1,3-oxazole-4-carboxylic acid

2-(2-chloro-4-iodoanilino)-1,3-oxazole-4-carboxylic acid (PubChem CID 107607038) has the molecular formula C10H6ClIN2O3 and a molecular weight of 364.53 g/mol. Its IUPAC name is 2-(2-chloro-4-iodoanilino)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-chloro-4-iodoanilino)-1,3-oxazole-4-carboxylic acid
PubChem CID107607038
Molecular FormulaC10H6ClIN2O3
Molecular Weight364.53 g/mol
Exact Mass363.91
IUPAC Name2-(2-chloro-4-iodoanilino)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(Nc2ccc(I)cc2Cl)n1
InChIInChI=1S/C10H6ClIN2O3/c11-6-3-5(12)1-2-7(6)13-10-14-8(4-17-10)9(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKeyUDGVLGKUAZVVFO-UHFFFAOYSA-N
XLogP3.37
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-chloro-4-iodoanilino)-1,3-oxazole-4-carboxylic acid 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

5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid
CID 107607031
2-(2-methylsulfanylanilino)-1,3-oxazole-4-carboxylic acid
CID 107645137
4-[(2-chloro-4-iodophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107605941
3-amino-2-(2-chloro-4-iodoanilino)benzoic acid
CID 107607626
2-[3-chloro-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxylic acid
CID 116700317
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
methyl 6-(2-chloro-4-iodoanilino)pyrazine-2-carboxylate
CID 107607035
N-(2-chloro-4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55677449
6-chloro-N-(2-chloro-4-iodophenyl)pyridazine-3-carboxamide
CID 61052994
3-(2-chloro-4-iodoanilino)-4-nitrobenzoic acid
CID 107607022
5-(1-chloroethyl)-N-(2-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-amine
CID 107605220
3-chloro-4-(2-chloro-4-iodoanilino)benzenecarbothioamide
CID 107606743

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-iodoanilino)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2-chloro-4-iodoanilino)-1,3-oxazole-4-carboxylic acid (CID 107607038) is 2-(2-chloro-4-iodoanilino)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-chloro-4-iodoanilino)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2-chloro-4-iodoanilino)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(Nc2ccc(I)cc2Cl)n1.
What is the InChIKey of 2-(2-chloro-4-iodoanilino)-1,3-oxazole-4-carboxylic acid?
The InChIKey is UDGVLGKUAZVVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClIN2O3/c11-6-3-5(12)1-2-7(6)13-10-14-8(4-17-10)9(15)16/h1-4H,(H,13,14)(H,15,16).
What are the key properties of 2-(2-chloro-4-iodoanilino)-1,3-oxazole-4-carboxylic acid?
2-(2-chloro-4-iodoanilino)-1,3-oxazole-4-carboxylic acid has a molecular weight of 364.53 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-iodoanilino)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 107607038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).