5-(2,4-dichlorophenyl)-4-iodo-1,2-oxazol-3-amine

C9H5Cl2IN2O — CID 79555967

IUPAC5-(2,4-dichlorophenyl)-4-iodo-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Cl)cc2Cl)c1I
InChIInChI=1S/C9H5Cl2IN2O/c10-4-1-2-5(6(11)3-4)8-7(12)9(13)14-15-8/h1-3H,(H2,13,14)
InChIKeyWTRGPDVHIRVZBM-UHFFFAOYSA-N
MW354.96 g/mol
LogP3.84
Rot. Bonds1

About 5-(2,4-dichlorophenyl)-4-iodo-1,2-oxazol-3-amine

5-(2,4-dichlorophenyl)-4-iodo-1,2-oxazol-3-amine (PubChem CID 79555967) has the molecular formula C9H5Cl2IN2O and a molecular weight of 354.96 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-4-iodo-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-4-iodo-1,2-oxazol-3-amine
PubChem CID79555967
Molecular FormulaC9H5Cl2IN2O
Molecular Weight354.96 g/mol
Exact Mass353.88
IUPAC Name5-(2,4-dichlorophenyl)-4-iodo-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Cl)cc2Cl)c1I
InChIInChI=1S/C9H5Cl2IN2O/c10-4-1-2-5(6(11)3-4)8-7(12)9(13)14-15-8/h1-3H,(H2,13,14)
InChIKeyWTRGPDVHIRVZBM-UHFFFAOYSA-N
XLogP3.84
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.96
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-phenylIsoxazole
CID 1965799
Methyl 5-(2,4-dichlorophenyl)-3-nitro-1,2-oxazole-4-carboxylate
CID 122207398
3-Chloro-5-(4-chlorophenyl)-1,2-oxazole
CID 12371348
4-Chloro-5-phenyl-1,2-oxazol-3-amine
CID 12371363
5-(4-Chlorophenyl)-1,2-oxazol-3-amine
CID 13035539
3-Chloro-5-(2,4-dichlorophenyl)-1,2-oxazole
CID 12371349
5-(3,5-Dichlorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66198160
5-(2-Chlorophenyl)-1,2-oxazol-3-amine
CID 66200617
4-Methyl-5-phenyl-1,2-oxazol-3-amine hydrochloride
CID 139026301
4-(4-Chlorophenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine
CID 15613896
5-(2,4-Dichlorophenyl)-3-methylisoxazole
CID 11085531
3-Chloro-4-iodo-5-phenyl-1,2-oxazole
CID 122223983

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-4-iodo-1,2-oxazol-3-amine?
The IUPAC name of 5-(2,4-dichlorophenyl)-4-iodo-1,2-oxazol-3-amine (CID 79555967) is 5-(2,4-dichlorophenyl)-4-iodo-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-4-iodo-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-4-iodo-1,2-oxazol-3-amine is Nc1noc(-c2ccc(Cl)cc2Cl)c1I.
What is the InChIKey of 5-(2,4-dichlorophenyl)-4-iodo-1,2-oxazol-3-amine?
The InChIKey is WTRGPDVHIRVZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2IN2O/c10-4-1-2-5(6(11)3-4)8-7(12)9(13)14-15-8/h1-3H,(H2,13,14).
What are the key properties of 5-(2,4-dichlorophenyl)-4-iodo-1,2-oxazol-3-amine?
5-(2,4-dichlorophenyl)-4-iodo-1,2-oxazol-3-amine has a molecular weight of 354.96 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-4-iodo-1,2-oxazol-3-amine is sourced from PubChem (CID 79555967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).