4-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole

C12H11Cl2NO — CID 613144

IUPAC4-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H11Cl2NO/c1-7-9(8(2)16-15-7)6-10-11(13)4-3-5-12(10)14/h3-5H,6H2,1-2H3
InChIKeyVGNJLSIZHGSJOS-UHFFFAOYSA-N
MW256.13 g/mol
LogP4.19
Rot. Bonds2

About 4-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole

4-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 613144) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID613144
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name4-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H11Cl2NO/c1-7-9(8(2)16-15-7)6-10-11(13)4-3-5-12(10)14/h3-5H,6H2,1-2H3
InChIKeyVGNJLSIZHGSJOS-UHFFFAOYSA-N
XLogP4.19
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethyl-4-phenylisoxazole
CID 5325760
3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride
CID 78212
3-Methyl-5-phenylisoxazole
CID 136804
Methyl 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate
CID 619436
3-(p-Chlorophenyl)-5-phenylisoxazole
CID 279128
3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide
CID 2780924
5-Methyl-3-phenylisoxazole-4-carbonyl chloride
CID 85624
5-Methyl-3-phenyl-1,2-oxazole
CID 136803
4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-
CID 90203
4-Isoxazolecarbonyl chloride, 3-(2-chlorophenyl)-5-methyl-
CID 96590
3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride
CID 2736581
Methanone, (3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)phenyl-
CID 2805168

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole (CID 613144) is 4-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 4-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is VGNJLSIZHGSJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c1-7-9(8(2)16-15-7)6-10-11(13)4-3-5-12(10)14/h3-5H,6H2,1-2H3.
What are the key properties of 4-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole?
4-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 256.13 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 613144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).