4-(chloromethyl)-2-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]-1,3-oxazole

C13H11Cl2NO — CID 69070505

IUPAC4-(chloromethyl)-2-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]-1,3-oxazole
SMILESClCc1ccc(/C=C/c2nc(CCl)co2)cc1
InChIInChI=1S/C13H11Cl2NO/c14-7-11-3-1-10(2-4-11)5-6-13-16-12(8-15)9-17-13/h1-6,9H,7-8H2/b6-5+
InChIKeyALHGPRLJZWYCBA-AATRIKPKSA-N
MW268.14 g/mol
LogP4.32
Rot. Bonds4

About 4-(chloromethyl)-2-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]-1,3-oxazole

4-(chloromethyl)-2-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]-1,3-oxazole (PubChem CID 69070505) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]-1,3-oxazole
PubChem CID69070505
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name4-(chloromethyl)-2-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]-1,3-oxazole
SMILESClCc1ccc(/C=C/c2nc(CCl)co2)cc1
InChIInChI=1S/C13H11Cl2NO/c14-7-11-3-1-10(2-4-11)5-6-13-16-12(8-15)9-17-13/h1-6,9H,7-8H2/b6-5+
InChIKeyALHGPRLJZWYCBA-AATRIKPKSA-N
XLogP4.32
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-2-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]-1,3-oxazole (CID 69070505) is 4-(chloromethyl)-2-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-2-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-2-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]-1,3-oxazole is ClCc1ccc(/C=C/c2nc(CCl)co2)cc1.
What is the InChIKey of 4-(chloromethyl)-2-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]-1,3-oxazole?
The InChIKey is ALHGPRLJZWYCBA-AATRIKPKSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c14-7-11-3-1-10(2-4-11)5-6-13-16-12(8-15)9-17-13/h1-6,9H,7-8H2/b6-5+.
What are the key properties of 4-(chloromethyl)-2-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]-1,3-oxazole?
4-(chloromethyl)-2-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]-1,3-oxazole has a molecular weight of 268.14 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]-1,3-oxazole is sourced from PubChem (CID 69070505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).