4-(bromomethyl)-5-(4-tert-butylcyclohexyl)-1,3-oxazole

C14H22BrNO — CID 79153695

IUPAC4-(bromomethyl)-5-(4-tert-butylcyclohexyl)-1,3-oxazole
SMILESCC(C)(C)C1CCC(c2ocnc2CBr)CC1
InChIInChI=1S/C14H22BrNO/c1-14(2,3)11-6-4-10(5-7-11)13-12(8-15)16-9-17-13/h9-11H,4-8H2,1-3H3
InChIKeyIVKQKQHWHMAXLM-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.89
Rot. Bonds2

About 4-(bromomethyl)-5-(4-tert-butylcyclohexyl)-1,3-oxazole

4-(bromomethyl)-5-(4-tert-butylcyclohexyl)-1,3-oxazole (PubChem CID 79153695) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(4-tert-butylcyclohexyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-(4-tert-butylcyclohexyl)-1,3-oxazole
PubChem CID79153695
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name4-(bromomethyl)-5-(4-tert-butylcyclohexyl)-1,3-oxazole
SMILESCC(C)(C)C1CCC(c2ocnc2CBr)CC1
InChIInChI=1S/C14H22BrNO/c1-14(2,3)11-6-4-10(5-7-11)13-12(8-15)16-9-17-13/h9-11H,4-8H2,1-3H3
InChIKeyIVKQKQHWHMAXLM-UHFFFAOYSA-N
XLogP4.89
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.89
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-(4-tert-butylcyclohexyl)-1,3-oxazole?
The IUPAC name of 4-(bromomethyl)-5-(4-tert-butylcyclohexyl)-1,3-oxazole (CID 79153695) is 4-(bromomethyl)-5-(4-tert-butylcyclohexyl)-1,3-oxazole.
What is the SMILES notation for 4-(bromomethyl)-5-(4-tert-butylcyclohexyl)-1,3-oxazole?
The canonical SMILES for 4-(bromomethyl)-5-(4-tert-butylcyclohexyl)-1,3-oxazole is CC(C)(C)C1CCC(c2ocnc2CBr)CC1.
What is the InChIKey of 4-(bromomethyl)-5-(4-tert-butylcyclohexyl)-1,3-oxazole?
The InChIKey is IVKQKQHWHMAXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-14(2,3)11-6-4-10(5-7-11)13-12(8-15)16-9-17-13/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-(bromomethyl)-5-(4-tert-butylcyclohexyl)-1,3-oxazole?
4-(bromomethyl)-5-(4-tert-butylcyclohexyl)-1,3-oxazole has a molecular weight of 300.24 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-(4-tert-butylcyclohexyl)-1,3-oxazole is sourced from PubChem (CID 79153695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).