5-cyclopentyl-4-iodo-1,2-oxazol-3-amine

C8H11IN2O — CID 79557488

IUPAC5-cyclopentyl-4-iodo-1,2-oxazol-3-amine
SMILESNc1noc(C2CCCC2)c1I
InChIInChI=1S/C8H11IN2O/c9-6-7(12-11-8(6)10)5-3-1-2-4-5/h5H,1-4H2,(H2,10,11)
InChIKeyMHKDYDFEYOHKSY-UHFFFAOYSA-N
MW278.09 g/mol
LogP2.52
Rot. Bonds1

About 5-cyclopentyl-4-iodo-1,2-oxazol-3-amine

5-cyclopentyl-4-iodo-1,2-oxazol-3-amine (PubChem CID 79557488) has the molecular formula C8H11IN2O and a molecular weight of 278.09 g/mol. Its IUPAC name is 5-cyclopentyl-4-iodo-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-cyclopentyl-4-iodo-1,2-oxazol-3-amine
PubChem CID79557488
Molecular FormulaC8H11IN2O
Molecular Weight278.09 g/mol
Exact Mass277.99
IUPAC Name5-cyclopentyl-4-iodo-1,2-oxazol-3-amine
SMILESNc1noc(C2CCCC2)c1I
InChIInChI=1S/C8H11IN2O/c9-6-7(12-11-8(6)10)5-3-1-2-4-5/h5H,1-4H2,(H2,10,11)
InChIKeyMHKDYDFEYOHKSY-UHFFFAOYSA-N
XLogP2.52
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 52.52
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-cyclopentyl-4-iodo-1,2-oxazol-3-amine?
The IUPAC name of 5-cyclopentyl-4-iodo-1,2-oxazol-3-amine (CID 79557488) is 5-cyclopentyl-4-iodo-1,2-oxazol-3-amine.
What is the SMILES notation for 5-cyclopentyl-4-iodo-1,2-oxazol-3-amine?
The canonical SMILES for 5-cyclopentyl-4-iodo-1,2-oxazol-3-amine is Nc1noc(C2CCCC2)c1I.
What is the InChIKey of 5-cyclopentyl-4-iodo-1,2-oxazol-3-amine?
The InChIKey is MHKDYDFEYOHKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2O/c9-6-7(12-11-8(6)10)5-3-1-2-4-5/h5H,1-4H2,(H2,10,11).
What are the key properties of 5-cyclopentyl-4-iodo-1,2-oxazol-3-amine?
5-cyclopentyl-4-iodo-1,2-oxazol-3-amine has a molecular weight of 278.09 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-iodo-1,2-oxazol-3-amine is sourced from PubChem (CID 79557488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).