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

C10H7Cl2NO — CID 79153122

IUPAC4-(chloromethyl)-5-(2-chlorophenyl)-1,3-oxazole
SMILESClCc1ncoc1-c1ccccc1Cl
InChIInChI=1S/C10H7Cl2NO/c11-5-9-10(14-6-13-9)7-3-1-2-4-8(7)12/h1-4,6H,5H2
InChIKeyPCQQAXIEVWQLBJ-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.73
Rot. Bonds2

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

4-(chloromethyl)-5-(2-chlorophenyl)-1,3-oxazole (PubChem CID 79153122) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 4-(chloromethyl)-5-(2-chlorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-5-(2-chlorophenyl)-1,3-oxazole
PubChem CID79153122
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name4-(chloromethyl)-5-(2-chlorophenyl)-1,3-oxazole
SMILESClCc1ncoc1-c1ccccc1Cl
InChIInChI=1S/C10H7Cl2NO/c11-5-9-10(14-6-13-9)7-3-1-2-4-8(7)12/h1-4,6H,5H2
InChIKeyPCQQAXIEVWQLBJ-UHFFFAOYSA-N
XLogP3.73
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.73
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

[5-(2-chlorophenyl)-1,3-oxazol-4-yl]methanamine
CID 79139636
4-(bromomethyl)-5-(3-chloro-2-methylphenyl)-1,3-oxazole
CID 107101359
4-(chloromethyl)-5-(3-chlorophenyl)-1,3-oxazole
CID 79154021
4-(chloromethyl)-5-(2,6-dimethoxyphenyl)-1,3-oxazole
CID 79154684
[5-(2,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine
CID 79140024
4-(bromomethyl)-5-(2-fluorophenyl)-1,3-oxazole
CID 79154261
4-(chloromethyl)-5-(1-methylindazol-3-yl)-1,3-oxazole
CID 103123679
[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanol
CID 79146085
4-(chloromethyl)-5-(2,6-difluoro-3-methylphenyl)-1,3-oxazole
CID 82818711
N-[[5-(3-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 81262930
2-(chloromethyl)-4-(2-chlorophenyl)-1,3,5-triazine
CID 174452686
N-[[5-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145623

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-(2-chlorophenyl)-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-5-(2-chlorophenyl)-1,3-oxazole (CID 79153122) is 4-(chloromethyl)-5-(2-chlorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-5-(2-chlorophenyl)-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-5-(2-chlorophenyl)-1,3-oxazole is ClCc1ncoc1-c1ccccc1Cl.
What is the InChIKey of 4-(chloromethyl)-5-(2-chlorophenyl)-1,3-oxazole?
The InChIKey is PCQQAXIEVWQLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c11-5-9-10(14-6-13-9)7-3-1-2-4-8(7)12/h1-4,6H,5H2.
What are the key properties of 4-(chloromethyl)-5-(2-chlorophenyl)-1,3-oxazole?
4-(chloromethyl)-5-(2-chlorophenyl)-1,3-oxazole has a molecular weight of 228.08 g/mol, XLogP of 3.73, 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-chlorophenyl)-1,3-oxazole is sourced from PubChem (CID 79153122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).