4-(2,6-dichlorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine

C15H9Cl2IN2O — CID 43335540

IUPAC4-(2,6-dichlorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(I)cc2)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C15H9Cl2IN2O/c16-10-2-1-3-11(17)12(10)13-14(20-21-15(13)19)8-4-6-9(18)7-5-8/h1-7H,19H2
InChIKeyKQWQUJFUFLSBIQ-UHFFFAOYSA-N
MW431.06 g/mol
LogP5.50
Rot. Bonds2

About 4-(2,6-dichlorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine

4-(2,6-dichlorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine (PubChem CID 43335540) has the molecular formula C15H9Cl2IN2O and a molecular weight of 431.06 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine
PubChem CID43335540
Molecular FormulaC15H9Cl2IN2O
Molecular Weight431.06 g/mol
Exact Mass429.91
IUPAC Name4-(2,6-dichlorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(I)cc2)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C15H9Cl2IN2O/c16-10-2-1-3-11(17)12(10)13-14(20-21-15(13)19)8-4-6-9(18)7-5-8/h1-7H,19H2
InChIKeyKQWQUJFUFLSBIQ-UHFFFAOYSA-N
XLogP5.50
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.06
LogP ≤ 55.50
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

4-(2,6-dichlorophenyl)-3-(2-iodophenyl)-1,2-oxazol-5-amine
CID 43335560
4-(2,6-dichlorophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine
CID 114552818
3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 43335687
4-(3-fluorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine
CID 43336038
4-(2-chloro-6-fluorophenyl)-3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 43335685
4-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine
CID 82787791
4-(2-chlorophenyl)-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine
CID 79692890
4-(2,6-dichlorophenyl)-3-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-5-amine
CID 65239414
4-(2-chloro-6-fluorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine
CID 104785999
4-(2,6-dichlorophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972739
3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829610
4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43157981

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2,6-dichlorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine (CID 43335540) is 4-(2,6-dichlorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2,6-dichlorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccc(I)cc2)c1-c1c(Cl)cccc1Cl.
What is the InChIKey of 4-(2,6-dichlorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine?
The InChIKey is KQWQUJFUFLSBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2IN2O/c16-10-2-1-3-11(17)12(10)13-14(20-21-15(13)19)8-4-6-9(18)7-5-8/h1-7H,19H2.
What are the key properties of 4-(2,6-dichlorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine?
4-(2,6-dichlorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine has a molecular weight of 431.06 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-3-(4-iodophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43335540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).