4-(bromomethyl)-5-cyclohexyl-1,3-oxazole

C10H14BrNO — CID 79154362

IUPAC4-(bromomethyl)-5-cyclohexyl-1,3-oxazole
SMILESBrCc1ncoc1C1CCCCC1
InChIInChI=1S/C10H14BrNO/c11-6-9-10(13-7-12-9)8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKeyOFKARMAQSDAZNL-UHFFFAOYSA-N
MW244.13 g/mol
LogP3.62
Rot. Bonds2

About 4-(bromomethyl)-5-cyclohexyl-1,3-oxazole

4-(bromomethyl)-5-cyclohexyl-1,3-oxazole (PubChem CID 79154362) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 4-(bromomethyl)-5-cyclohexyl-1,3-oxazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-cyclohexyl-1,3-oxazole
PubChem CID79154362
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name4-(bromomethyl)-5-cyclohexyl-1,3-oxazole
SMILESBrCc1ncoc1C1CCCCC1
InChIInChI=1S/C10H14BrNO/c11-6-9-10(13-7-12-9)8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKeyOFKARMAQSDAZNL-UHFFFAOYSA-N
XLogP3.62
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-cyclohexyl-1,3-oxazole?
The IUPAC name of 4-(bromomethyl)-5-cyclohexyl-1,3-oxazole (CID 79154362) is 4-(bromomethyl)-5-cyclohexyl-1,3-oxazole.
What is the SMILES notation for 4-(bromomethyl)-5-cyclohexyl-1,3-oxazole?
The canonical SMILES for 4-(bromomethyl)-5-cyclohexyl-1,3-oxazole is BrCc1ncoc1C1CCCCC1.
What is the InChIKey of 4-(bromomethyl)-5-cyclohexyl-1,3-oxazole?
The InChIKey is OFKARMAQSDAZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c11-6-9-10(13-7-12-9)8-4-2-1-3-5-8/h7-8H,1-6H2.
What are the key properties of 4-(bromomethyl)-5-cyclohexyl-1,3-oxazole?
4-(bromomethyl)-5-cyclohexyl-1,3-oxazole has a molecular weight of 244.13 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-cyclohexyl-1,3-oxazole is sourced from PubChem (CID 79154362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).