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

C10H7Cl2NO — CID 79154021

IUPAC4-(chloromethyl)-5-(3-chlorophenyl)-1,3-oxazole
SMILESClCc1ncoc1-c1cccc(Cl)c1
InChIInChI=1S/C10H7Cl2NO/c11-5-9-10(14-6-13-9)7-2-1-3-8(12)4-7/h1-4,6H,5H2
InChIKeyKMSGISACKKBUBY-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.73
Rot. Bonds2

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

4-(chloromethyl)-5-(3-chlorophenyl)-1,3-oxazole (PubChem CID 79154021) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 4-(chloromethyl)-5-(3-chlorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-5-(3-chlorophenyl)-1,3-oxazole
PubChem CID79154021
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name4-(chloromethyl)-5-(3-chlorophenyl)-1,3-oxazole
SMILESClCc1ncoc1-c1cccc(Cl)c1
InChIInChI=1S/C10H7Cl2NO/c11-5-9-10(14-6-13-9)7-2-1-3-8(12)4-7/h1-4,6H,5H2
InChIKeyKMSGISACKKBUBY-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

2-(Chloromethyl)-5-(4-chlorophenyl)-1,3-oxazole
CID 736966
5-(4-Chlorophenyl)-1,3-oxazole
CID 12871523
5-(3-Chlorophenyl)-1,3-oxazole-4-carboxylic acid
CID 2739757
5-Phenyl-1,3-oxazole-4-carbonitrile
CID 4204481
5-(2-Chlorophenyl)-1,3-oxazole-4-carboxylic acid
CID 2739756
5-(2-Chlorophenyl)-1,3-oxazole
CID 2735796
Oxazole, 4-methyl-5-phenyl-
CID 594392
2-(Chloromethyl)-5-(3-chlorophenyl)oxazole
CID 2564761
5-(4-Chlorophenyl)-1,3-oxazole-4-carboxylic acid
CID 2757827
5-Phenyl-1,3-oxazole-4-carbonyl chloride
CID 2776300
4-(Bromomethyl)-5-phenyloxazole
CID 2776301
2-(1-Chloroethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole
CID 43144257

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-(3-chlorophenyl)-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-5-(3-chlorophenyl)-1,3-oxazole (CID 79154021) is 4-(chloromethyl)-5-(3-chlorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-5-(3-chlorophenyl)-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-5-(3-chlorophenyl)-1,3-oxazole is ClCc1ncoc1-c1cccc(Cl)c1.
What is the InChIKey of 4-(chloromethyl)-5-(3-chlorophenyl)-1,3-oxazole?
The InChIKey is KMSGISACKKBUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c11-5-9-10(14-6-13-9)7-2-1-3-8(12)4-7/h1-4,6H,5H2.
What are the key properties of 4-(chloromethyl)-5-(3-chlorophenyl)-1,3-oxazole?
4-(chloromethyl)-5-(3-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-(3-chlorophenyl)-1,3-oxazole is sourced from PubChem (CID 79154021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).