4-(chloromethyl)-2-(9-chlorophenazin-1-yl)-1,3-oxazole

C16H9Cl2N3O — CID 174979017

IUPAC4-(chloromethyl)-2-(9-chlorophenazin-1-yl)-1,3-oxazole
SMILESClCc1coc(-c2cccc3nc4cccc(Cl)c4nc23)n1
InChIInChI=1S/C16H9Cl2N3O/c17-7-9-8-22-16(19-9)10-3-1-5-12-14(10)21-15-11(18)4-2-6-13(15)20-12/h1-6,8H,7H2
InChIKeyIMYMXTVBLHLXDB-UHFFFAOYSA-N
MW330.17 g/mol
LogP4.83
Rot. Bonds2

About 4-(chloromethyl)-2-(9-chlorophenazin-1-yl)-1,3-oxazole

4-(chloromethyl)-2-(9-chlorophenazin-1-yl)-1,3-oxazole (PubChem CID 174979017) has the molecular formula C16H9Cl2N3O and a molecular weight of 330.17 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(9-chlorophenazin-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(9-chlorophenazin-1-yl)-1,3-oxazole
PubChem CID174979017
Molecular FormulaC16H9Cl2N3O
Molecular Weight330.17 g/mol
Exact Mass329.01
IUPAC Name4-(chloromethyl)-2-(9-chlorophenazin-1-yl)-1,3-oxazole
SMILESClCc1coc(-c2cccc3nc4cccc(Cl)c4nc23)n1
InChIInChI=1S/C16H9Cl2N3O/c17-7-9-8-22-16(19-9)10-3-1-5-12-14(10)21-15-11(18)4-2-6-13(15)20-12/h1-6,8H,7H2
InChIKeyIMYMXTVBLHLXDB-UHFFFAOYSA-N
XLogP4.83
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(9-chlorophenazin-1-yl)-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-2-(9-chlorophenazin-1-yl)-1,3-oxazole (CID 174979017) is 4-(chloromethyl)-2-(9-chlorophenazin-1-yl)-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-2-(9-chlorophenazin-1-yl)-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-2-(9-chlorophenazin-1-yl)-1,3-oxazole is ClCc1coc(-c2cccc3nc4cccc(Cl)c4nc23)n1.
What is the InChIKey of 4-(chloromethyl)-2-(9-chlorophenazin-1-yl)-1,3-oxazole?
The InChIKey is IMYMXTVBLHLXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2N3O/c17-7-9-8-22-16(19-9)10-3-1-5-12-14(10)21-15-11(18)4-2-6-13(15)20-12/h1-6,8H,7H2.
What are the key properties of 4-(chloromethyl)-2-(9-chlorophenazin-1-yl)-1,3-oxazole?
4-(chloromethyl)-2-(9-chlorophenazin-1-yl)-1,3-oxazole has a molecular weight of 330.17 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(9-chlorophenazin-1-yl)-1,3-oxazole is sourced from PubChem (CID 174979017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).