2-cyclohexyl-4-(iodomethyl)-1,3-oxazole

C10H14INO — CID 21074265

IUPAC2-cyclohexyl-4-(iodomethyl)-1,3-oxazole
SMILESICc1coc(C2CCCCC2)n1
InChIInChI=1S/C10H14INO/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKeyHTZPHSGKGZPFQS-UHFFFAOYSA-N
MW291.13 g/mol
LogP3.66
Rot. Bonds2

About 2-cyclohexyl-4-(iodomethyl)-1,3-oxazole

2-cyclohexyl-4-(iodomethyl)-1,3-oxazole (PubChem CID 21074265) has the molecular formula C10H14INO and a molecular weight of 291.13 g/mol. Its IUPAC name is 2-cyclohexyl-4-(iodomethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-cyclohexyl-4-(iodomethyl)-1,3-oxazole
PubChem CID21074265
Molecular FormulaC10H14INO
Molecular Weight291.13 g/mol
Exact Mass291.01
IUPAC Name2-cyclohexyl-4-(iodomethyl)-1,3-oxazole
SMILESICc1coc(C2CCCCC2)n1
InChIInChI=1S/C10H14INO/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h7-8H,1-6H2
InChIKeyHTZPHSGKGZPFQS-UHFFFAOYSA-N
XLogP3.66
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(iodomethyl)-1,3-oxazole?
The IUPAC name of 2-cyclohexyl-4-(iodomethyl)-1,3-oxazole (CID 21074265) is 2-cyclohexyl-4-(iodomethyl)-1,3-oxazole.
What is the SMILES notation for 2-cyclohexyl-4-(iodomethyl)-1,3-oxazole?
The canonical SMILES for 2-cyclohexyl-4-(iodomethyl)-1,3-oxazole is ICc1coc(C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-4-(iodomethyl)-1,3-oxazole?
The InChIKey is HTZPHSGKGZPFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h7-8H,1-6H2.
What are the key properties of 2-cyclohexyl-4-(iodomethyl)-1,3-oxazole?
2-cyclohexyl-4-(iodomethyl)-1,3-oxazole has a molecular weight of 291.13 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(iodomethyl)-1,3-oxazole is sourced from PubChem (CID 21074265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).