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

C11H9Cl2NO — CID 3613658

IUPAC4-(chloromethyl)-2-(4-chlorophenyl)-5-methyl-1,3-oxazole
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CCl
InChIInChI=1S/C11H9Cl2NO/c1-7-10(6-12)14-11(15-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3
InChIKeyUZZOBOWGDDNXRM-UHFFFAOYSA-N
MW242.10 g/mol
LogP4.04
Rot. Bonds2

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

4-(chloromethyl)-2-(4-chlorophenyl)-5-methyl-1,3-oxazole (PubChem CID 3613658) has the molecular formula C11H9Cl2NO and a molecular weight of 242.10 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(4-chlorophenyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(4-chlorophenyl)-5-methyl-1,3-oxazole
PubChem CID3613658
Molecular FormulaC11H9Cl2NO
Molecular Weight242.10 g/mol
Exact Mass241.01
IUPAC Name4-(chloromethyl)-2-(4-chlorophenyl)-5-methyl-1,3-oxazole
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CCl
InChIInChI=1S/C11H9Cl2NO/c1-7-10(6-12)14-11(15-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3
InChIKeyUZZOBOWGDDNXRM-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

Romazarit
CID 71321
2-(4-Chlorophenyl)benzoxazole
CID 14355
Oxazole, 2-methyl-4,5-diphenyl-
CID 139703
Methyl 2-(4-chlorophenyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 1484190
2-(5-Methyl-2-phenyl-4-oxazolyl)ethanol
CID 725585
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(dipropylamino)ethyl]piperidine-4-carboxamide
CID 3240581
2-(4-chlorophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 1486770
4-Methyl-2-phenyloxazole-5-carboxamide
CID 72763
Methyl (5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
CID 2775318
4-(Chloromethyl)-5-methyl-2-phenyl-1,3-oxazole
CID 9794289
4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-oxazole
CID 7131527
2-(4-Chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile
CID 661037

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(4-chlorophenyl)-5-methyl-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-2-(4-chlorophenyl)-5-methyl-1,3-oxazole (CID 3613658) is 4-(chloromethyl)-2-(4-chlorophenyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-2-(4-chlorophenyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-2-(4-chlorophenyl)-5-methyl-1,3-oxazole is Cc1oc(-c2ccc(Cl)cc2)nc1CCl.
What is the InChIKey of 4-(chloromethyl)-2-(4-chlorophenyl)-5-methyl-1,3-oxazole?
The InChIKey is UZZOBOWGDDNXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c1-7-10(6-12)14-11(15-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(4-chlorophenyl)-5-methyl-1,3-oxazole?
4-(chloromethyl)-2-(4-chlorophenyl)-5-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 4-(chloromethyl)-2-(4-chlorophenyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 3613658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).