5-(2-cyclohexylethyl)-4-iodo-1,2-oxazol-3-amine

C11H17IN2O — CID 79557283

IUPAC5-(2-cyclohexylethyl)-4-iodo-1,2-oxazol-3-amine
SMILESNc1noc(CCC2CCCCC2)c1I
InChIInChI=1S/C11H17IN2O/c12-10-9(15-14-11(10)13)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H2,13,14)
InChIKeyNILCSEZHVHSDCZ-UHFFFAOYSA-N
MW320.17 g/mol
LogP3.37
Rot. Bonds3

About 5-(2-cyclohexylethyl)-4-iodo-1,2-oxazol-3-amine

5-(2-cyclohexylethyl)-4-iodo-1,2-oxazol-3-amine (PubChem CID 79557283) has the molecular formula C11H17IN2O and a molecular weight of 320.17 g/mol. Its IUPAC name is 5-(2-cyclohexylethyl)-4-iodo-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-cyclohexylethyl)-4-iodo-1,2-oxazol-3-amine
PubChem CID79557283
Molecular FormulaC11H17IN2O
Molecular Weight320.17 g/mol
Exact Mass320.04
IUPAC Name5-(2-cyclohexylethyl)-4-iodo-1,2-oxazol-3-amine
SMILESNc1noc(CCC2CCCCC2)c1I
InChIInChI=1S/C11H17IN2O/c12-10-9(15-14-11(10)13)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H2,13,14)
InChIKeyNILCSEZHVHSDCZ-UHFFFAOYSA-N
XLogP3.37
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylethyl)-4-iodo-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-cyclohexylethyl)-4-iodo-1,2-oxazol-3-amine (CID 79557283) is 5-(2-cyclohexylethyl)-4-iodo-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-cyclohexylethyl)-4-iodo-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-cyclohexylethyl)-4-iodo-1,2-oxazol-3-amine is Nc1noc(CCC2CCCCC2)c1I.
What is the InChIKey of 5-(2-cyclohexylethyl)-4-iodo-1,2-oxazol-3-amine?
The InChIKey is NILCSEZHVHSDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2O/c12-10-9(15-14-11(10)13)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H2,13,14).
What are the key properties of 5-(2-cyclohexylethyl)-4-iodo-1,2-oxazol-3-amine?
5-(2-cyclohexylethyl)-4-iodo-1,2-oxazol-3-amine has a molecular weight of 320.17 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylethyl)-4-iodo-1,2-oxazol-3-amine is sourced from PubChem (CID 79557283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).