2-(chloromethyl)-5-cyclohexyl-1,3-oxazole

C10H14ClNO — CID 65179915

IUPAC2-(chloromethyl)-5-cyclohexyl-1,3-oxazole
SMILESClCc1ncc(C2CCCCC2)o1
InChIInChI=1S/C10H14ClNO/c11-6-10-12-7-9(13-10)8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKeyUVJPZWKBZNEAAX-UHFFFAOYSA-N
MW199.68 g/mol
LogP3.46
Rot. Bonds2

About 2-(chloromethyl)-5-cyclohexyl-1,3-oxazole

2-(chloromethyl)-5-cyclohexyl-1,3-oxazole (PubChem CID 65179915) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-(chloromethyl)-5-cyclohexyl-1,3-oxazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-cyclohexyl-1,3-oxazole
PubChem CID65179915
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-(chloromethyl)-5-cyclohexyl-1,3-oxazole
SMILESClCc1ncc(C2CCCCC2)o1
InChIInChI=1S/C10H14ClNO/c11-6-10-12-7-9(13-10)8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKeyUVJPZWKBZNEAAX-UHFFFAOYSA-N
XLogP3.46
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 53.46
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 2-(chloromethyl)-5-cyclohexyl-1,3-oxazole?
The IUPAC name of 2-(chloromethyl)-5-cyclohexyl-1,3-oxazole (CID 65179915) is 2-(chloromethyl)-5-cyclohexyl-1,3-oxazole.
What is the SMILES notation for 2-(chloromethyl)-5-cyclohexyl-1,3-oxazole?
The canonical SMILES for 2-(chloromethyl)-5-cyclohexyl-1,3-oxazole is ClCc1ncc(C2CCCCC2)o1.
What is the InChIKey of 2-(chloromethyl)-5-cyclohexyl-1,3-oxazole?
The InChIKey is UVJPZWKBZNEAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c11-6-10-12-7-9(13-10)8-4-2-1-3-5-8/h7-8H,1-6H2.
What are the key properties of 2-(chloromethyl)-5-cyclohexyl-1,3-oxazole?
2-(chloromethyl)-5-cyclohexyl-1,3-oxazole has a molecular weight of 199.68 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-cyclohexyl-1,3-oxazole is sourced from PubChem (CID 65179915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).