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

C15H11IN2O — CID 66199313

IUPAC5-(4-iodophenyl)-4-phenyl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(I)cc2)c1-c1ccccc1
InChIInChI=1S/C15H11IN2O/c16-12-8-6-11(7-9-12)14-13(15(17)18-19-14)10-4-2-1-3-5-10/h1-9H,(H2,17,18)
InChIKeyWKMTVYILZMOAAZ-UHFFFAOYSA-N
MW362.17 g/mol
LogP4.20
Rot. Bonds2

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

5-(4-iodophenyl)-4-phenyl-1,2-oxazol-3-amine (PubChem CID 66199313) has the molecular formula C15H11IN2O and a molecular weight of 362.17 g/mol. Its IUPAC name is 5-(4-iodophenyl)-4-phenyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-iodophenyl)-4-phenyl-1,2-oxazol-3-amine
PubChem CID66199313
Molecular FormulaC15H11IN2O
Molecular Weight362.17 g/mol
Exact Mass361.99
IUPAC Name5-(4-iodophenyl)-4-phenyl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(I)cc2)c1-c1ccccc1
InChIInChI=1S/C15H11IN2O/c16-12-8-6-11(7-9-12)14-13(15(17)18-19-14)10-4-2-1-3-5-10/h1-9H,(H2,17,18)
InChIKeyWKMTVYILZMOAAZ-UHFFFAOYSA-N
XLogP4.20
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 54.20
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 5-(4-iodophenyl)-4-phenyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-iodophenyl)-4-phenyl-1,2-oxazol-3-amine (CID 66199313) is 5-(4-iodophenyl)-4-phenyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-iodophenyl)-4-phenyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-iodophenyl)-4-phenyl-1,2-oxazol-3-amine is Nc1noc(-c2ccc(I)cc2)c1-c1ccccc1.
What is the InChIKey of 5-(4-iodophenyl)-4-phenyl-1,2-oxazol-3-amine?
The InChIKey is WKMTVYILZMOAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN2O/c16-12-8-6-11(7-9-12)14-13(15(17)18-19-14)10-4-2-1-3-5-10/h1-9H,(H2,17,18).
What are the key properties of 5-(4-iodophenyl)-4-phenyl-1,2-oxazol-3-amine?
5-(4-iodophenyl)-4-phenyl-1,2-oxazol-3-amine has a molecular weight of 362.17 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-iodophenyl)-4-phenyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66199313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).