5-(chloromethyl)-2-(4-chlorophenyl)-4-methyl-1,3-oxazole

C11H9Cl2NO — CID 14801704

IUPAC5-(chloromethyl)-2-(4-chlorophenyl)-4-methyl-1,3-oxazole
SMILESCc1nc(-c2ccc(Cl)cc2)oc1CCl
InChIInChI=1S/C11H9Cl2NO/c1-7-10(6-12)15-11(14-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3
InChIKeyWYHZCQPFSIKTOX-UHFFFAOYSA-N
MW242.10 g/mol
LogP4.04
Rot. Bonds2

About 5-(chloromethyl)-2-(4-chlorophenyl)-4-methyl-1,3-oxazole

5-(chloromethyl)-2-(4-chlorophenyl)-4-methyl-1,3-oxazole (PubChem CID 14801704) has the molecular formula C11H9Cl2NO and a molecular weight of 242.10 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(4-chlorophenyl)-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-(chloromethyl)-2-(4-chlorophenyl)-4-methyl-1,3-oxazole
PubChem CID14801704
Molecular FormulaC11H9Cl2NO
Molecular Weight242.10 g/mol
Exact Mass241.01
IUPAC Name5-(chloromethyl)-2-(4-chlorophenyl)-4-methyl-1,3-oxazole
SMILESCc1nc(-c2ccc(Cl)cc2)oc1CCl
InChIInChI=1S/C11H9Cl2NO/c1-7-10(6-12)15-11(14-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3
InChIKeyWYHZCQPFSIKTOX-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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Related Compounds

2-(4-chlorophenyl)-5-(methoxymethyl)-4-methyl-1,3-oxazole
CID 21290715
methyl 2-[[2-(4-chlorophenyl)-4-methyl-1,3-oxazol-5-yl]methoxy]-2-methylpropanoate
CID 21290706
2-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole
CID 43144205
5-(chloromethyl)-2-(2-ethylfuran-3-yl)-4-methyl-1,3-oxazole
CID 130917849
[2-(4-chlorophenyl)-5-ethyl-1,3-oxazol-4-yl]methanol
CID 122476666
4-(4-chlorophenyl)-5-ethyl-2-phenyl-1,3-oxazole
CID 15446599
(4-methyl-2-pyridin-4-yl-1,3-oxazol-5-yl)methanamine
CID 82504549
2-(4-chlorophenyl)-5-(methoxymethyl)-1,3-oxazole-4-carbaldehyde
CID 122476580
4-methyl-5-(methylsulfanylmethyl)-2-phenyl-1,3-oxazole
CID 54240728
2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 4961939
2-(2-chloroethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole
CID 43144310
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(4-chlorophenyl)-4-methyl-1,3-oxazole?
The IUPAC name of 5-(chloromethyl)-2-(4-chlorophenyl)-4-methyl-1,3-oxazole (CID 14801704) is 5-(chloromethyl)-2-(4-chlorophenyl)-4-methyl-1,3-oxazole.
What is the SMILES notation for 5-(chloromethyl)-2-(4-chlorophenyl)-4-methyl-1,3-oxazole?
The canonical SMILES for 5-(chloromethyl)-2-(4-chlorophenyl)-4-methyl-1,3-oxazole is Cc1nc(-c2ccc(Cl)cc2)oc1CCl.
What is the InChIKey of 5-(chloromethyl)-2-(4-chlorophenyl)-4-methyl-1,3-oxazole?
The InChIKey is WYHZCQPFSIKTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c1-7-10(6-12)15-11(14-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3.
What are the key properties of 5-(chloromethyl)-2-(4-chlorophenyl)-4-methyl-1,3-oxazole?
5-(chloromethyl)-2-(4-chlorophenyl)-4-methyl-1,3-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)-2-(4-chlorophenyl)-4-methyl-1,3-oxazole is sourced from PubChem (CID 14801704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).