4-(chloromethyl)-5-(2,4-dichlorophenyl)-1,2-oxazole

C10H6Cl3NO — CID 65240257

IUPAC4-(chloromethyl)-5-(2,4-dichlorophenyl)-1,2-oxazole
SMILESClCc1cnoc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H6Cl3NO/c11-4-6-5-14-15-10(6)8-2-1-7(12)3-9(8)13/h1-3,5H,4H2
InChIKeyRLMJHMPHVOSHOT-UHFFFAOYSA-N
MW262.52 g/mol
LogP4.39
Rot. Bonds2

About 4-(chloromethyl)-5-(2,4-dichlorophenyl)-1,2-oxazole

4-(chloromethyl)-5-(2,4-dichlorophenyl)-1,2-oxazole (PubChem CID 65240257) has the molecular formula C10H6Cl3NO and a molecular weight of 262.52 g/mol. Its IUPAC name is 4-(chloromethyl)-5-(2,4-dichlorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-5-(2,4-dichlorophenyl)-1,2-oxazole
PubChem CID65240257
Molecular FormulaC10H6Cl3NO
Molecular Weight262.52 g/mol
Exact Mass260.95
IUPAC Name4-(chloromethyl)-5-(2,4-dichlorophenyl)-1,2-oxazole
SMILESClCc1cnoc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H6Cl3NO/c11-4-6-5-14-15-10(6)8-2-1-7(12)3-9(8)13/h1-3,5H,4H2
InChIKeyRLMJHMPHVOSHOT-UHFFFAOYSA-N
XLogP4.39
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.52
LogP ≤ 54.39
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)-5-(2,4-dichlorophenyl)-1,2-oxazole?
The IUPAC name of 4-(chloromethyl)-5-(2,4-dichlorophenyl)-1,2-oxazole (CID 65240257) is 4-(chloromethyl)-5-(2,4-dichlorophenyl)-1,2-oxazole.
What is the SMILES notation for 4-(chloromethyl)-5-(2,4-dichlorophenyl)-1,2-oxazole?
The canonical SMILES for 4-(chloromethyl)-5-(2,4-dichlorophenyl)-1,2-oxazole is ClCc1cnoc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(chloromethyl)-5-(2,4-dichlorophenyl)-1,2-oxazole?
The InChIKey is RLMJHMPHVOSHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3NO/c11-4-6-5-14-15-10(6)8-2-1-7(12)3-9(8)13/h1-3,5H,4H2.
What are the key properties of 4-(chloromethyl)-5-(2,4-dichlorophenyl)-1,2-oxazole?
4-(chloromethyl)-5-(2,4-dichlorophenyl)-1,2-oxazole has a molecular weight of 262.52 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-(2,4-dichlorophenyl)-1,2-oxazole is sourced from PubChem (CID 65240257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).