5-(chloromethyl)-3-(3-chloro-2-methylphenyl)-1,2-oxazole

C11H9Cl2NO — CID 166596910

IUPAC5-(chloromethyl)-3-(3-chloro-2-methylphenyl)-1,2-oxazole
SMILESCc1c(Cl)cccc1-c1cc(CCl)on1
InChIInChI=1S/C11H9Cl2NO/c1-7-9(3-2-4-10(7)13)11-5-8(6-12)15-14-11/h2-5H,6H2,1H3
InChIKeyRXOPAKQBMSVWJT-UHFFFAOYSA-N
MW242.10 g/mol
LogP4.04
Rot. Bonds2

About 5-(chloromethyl)-3-(3-chloro-2-methylphenyl)-1,2-oxazole

5-(chloromethyl)-3-(3-chloro-2-methylphenyl)-1,2-oxazole (PubChem CID 166596910) has the molecular formula C11H9Cl2NO and a molecular weight of 242.10 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(3-chloro-2-methylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-(3-chloro-2-methylphenyl)-1,2-oxazole
PubChem CID166596910
Molecular FormulaC11H9Cl2NO
Molecular Weight242.10 g/mol
Exact Mass241.01
IUPAC Name5-(chloromethyl)-3-(3-chloro-2-methylphenyl)-1,2-oxazole
SMILESCc1c(Cl)cccc1-c1cc(CCl)on1
InChIInChI=1S/C11H9Cl2NO/c1-7-9(3-2-4-10(7)13)11-5-8(6-12)15-14-11/h2-5H,6H2,1H3
InChIKeyRXOPAKQBMSVWJT-UHFFFAOYSA-N
XLogP4.04
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 54.04
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 5-(chloromethyl)-3-(3-chloro-2-methylphenyl)-1,2-oxazole?
The IUPAC name of 5-(chloromethyl)-3-(3-chloro-2-methylphenyl)-1,2-oxazole (CID 166596910) is 5-(chloromethyl)-3-(3-chloro-2-methylphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(chloromethyl)-3-(3-chloro-2-methylphenyl)-1,2-oxazole?
The canonical SMILES for 5-(chloromethyl)-3-(3-chloro-2-methylphenyl)-1,2-oxazole is Cc1c(Cl)cccc1-c1cc(CCl)on1.
What is the InChIKey of 5-(chloromethyl)-3-(3-chloro-2-methylphenyl)-1,2-oxazole?
The InChIKey is RXOPAKQBMSVWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c1-7-9(3-2-4-10(7)13)11-5-8(6-12)15-14-11/h2-5H,6H2,1H3.
What are the key properties of 5-(chloromethyl)-3-(3-chloro-2-methylphenyl)-1,2-oxazole?
5-(chloromethyl)-3-(3-chloro-2-methylphenyl)-1,2-oxazole has a molecular weight of 242.10 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(3-chloro-2-methylphenyl)-1,2-oxazole is sourced from PubChem (CID 166596910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).