4-(chloromethyl)-2-(2-chloro-4-methylphenyl)-1,3-oxazole

C11H9Cl2NO — CID 106862629

IUPAC4-(chloromethyl)-2-(2-chloro-4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2nc(CCl)co2)c(Cl)c1
InChIInChI=1S/C11H9Cl2NO/c1-7-2-3-9(10(13)4-7)11-14-8(5-12)6-15-11/h2-4,6H,5H2,1H3
InChIKeyGEKKWMTVGNBOBL-UHFFFAOYSA-N
MW242.10 g/mol
LogP4.04
Rot. Bonds2

About 4-(chloromethyl)-2-(2-chloro-4-methylphenyl)-1,3-oxazole

4-(chloromethyl)-2-(2-chloro-4-methylphenyl)-1,3-oxazole (PubChem CID 106862629) has the molecular formula C11H9Cl2NO and a molecular weight of 242.10 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2-chloro-4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2-chloro-4-methylphenyl)-1,3-oxazole
PubChem CID106862629
Molecular FormulaC11H9Cl2NO
Molecular Weight242.10 g/mol
Exact Mass241.01
IUPAC Name4-(chloromethyl)-2-(2-chloro-4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2nc(CCl)co2)c(Cl)c1
InChIInChI=1S/C11H9Cl2NO/c1-7-2-3-9(10(13)4-7)11-14-8(5-12)6-15-11/h2-4,6H,5H2,1H3
InChIKeyGEKKWMTVGNBOBL-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'}

Analyze 4-(chloromethyl)-2-(2-chloro-4-methylphenyl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-2-methylphenyl)-4-(chloromethyl)-1,3-oxazole
CID 65311925
2-(2-bromo-4-chlorophenyl)-4-(chloromethyl)-1,3-oxazole
CID 107991092
[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanamine
CID 65289102
2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole
CID 59937379
N-[[2-(4-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65287897
4-(chloromethyl)-2-(3-methyl-2-nitrophenyl)-1,3-oxazole
CID 54887697
4-(chloromethyl)-2-(9-chlorophenazin-1-yl)-1,3-oxazole
CID 174979017
4-(chloromethyl)-2-(3-chlorothiophen-2-yl)-1,3-oxazole
CID 22009585
3-chloro-4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile
CID 24675335
4-(chloromethyl)-2-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazole
CID 103404233
[2-[4-(aminomethyl)-1,3-oxazol-2-yl]phenyl]methanamine;[2-[4-(chloromethyl)-1,3-oxazol-2-yl]phenyl]methanamine
CID 174901363
1,2-dichloro-4-methylbenzene;zinc
CID 174694337

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2-chloro-4-methylphenyl)-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-2-(2-chloro-4-methylphenyl)-1,3-oxazole (CID 106862629) is 4-(chloromethyl)-2-(2-chloro-4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-2-(2-chloro-4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-2-(2-chloro-4-methylphenyl)-1,3-oxazole is Cc1ccc(-c2nc(CCl)co2)c(Cl)c1.
What is the InChIKey of 4-(chloromethyl)-2-(2-chloro-4-methylphenyl)-1,3-oxazole?
The InChIKey is GEKKWMTVGNBOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c1-7-2-3-9(10(13)4-7)11-14-8(5-12)6-15-11/h2-4,6H,5H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(2-chloro-4-methylphenyl)-1,3-oxazole?
4-(chloromethyl)-2-(2-chloro-4-methylphenyl)-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 4-(chloromethyl)-2-(2-chloro-4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 106862629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).