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

C15H10ClIN2O — CID 66205607

IUPAC4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(I)cc2)c1-c1ccccc1Cl
InChIInChI=1S/C15H10ClIN2O/c16-12-4-2-1-3-11(12)13-14(20-19-15(13)18)9-5-7-10(17)8-6-9/h1-8H,(H2,18,19)
InChIKeyDIBBGORIXFQCHE-UHFFFAOYSA-N
MW396.62 g/mol
LogP4.85
Rot. Bonds2

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

4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine (PubChem CID 66205607) has the molecular formula C15H10ClIN2O and a molecular weight of 396.62 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
PubChem CID66205607
Molecular FormulaC15H10ClIN2O
Molecular Weight396.62 g/mol
Exact Mass395.95
IUPAC Name4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(I)cc2)c1-c1ccccc1Cl
InChIInChI=1S/C15H10ClIN2O/c16-12-4-2-1-3-11(12)13-14(20-19-15(13)18)9-5-7-10(17)8-6-9/h1-8H,(H2,18,19)
InChIKeyDIBBGORIXFQCHE-UHFFFAOYSA-N
XLogP4.85
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.62
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine (CID 66205607) is 4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2ccc(I)cc2)c1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine?
The InChIKey is DIBBGORIXFQCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClIN2O/c16-12-4-2-1-3-11(12)13-14(20-19-15(13)18)9-5-7-10(17)8-6-9/h1-8H,(H2,18,19).
What are the key properties of 4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine?
4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine has a molecular weight of 396.62 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66205607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).