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

C9H13IN2O — CID 79557646

IUPAC5-(cyclopentylmethyl)-4-iodo-1,2-oxazol-3-amine
SMILESNc1noc(CC2CCCC2)c1I
InChIInChI=1S/C9H13IN2O/c10-8-7(13-12-9(8)11)5-6-3-1-2-4-6/h6H,1-5H2,(H2,11,12)
InChIKeyGBAKXKMWLZBCIC-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.59
Rot. Bonds2

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

5-(cyclopentylmethyl)-4-iodo-1,2-oxazol-3-amine (PubChem CID 79557646) has the molecular formula C9H13IN2O and a molecular weight of 292.12 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-4-iodo-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-4-iodo-1,2-oxazol-3-amine
PubChem CID79557646
Molecular FormulaC9H13IN2O
Molecular Weight292.12 g/mol
Exact Mass292.01
IUPAC Name5-(cyclopentylmethyl)-4-iodo-1,2-oxazol-3-amine
SMILESNc1noc(CC2CCCC2)c1I
InChIInChI=1S/C9H13IN2O/c10-8-7(13-12-9(8)11)5-6-3-1-2-4-6/h6H,1-5H2,(H2,11,12)
InChIKeyGBAKXKMWLZBCIC-UHFFFAOYSA-N
XLogP2.59
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.59
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-(cyclopentylmethyl)-4-iodo-1,2-oxazol-3-amine?
The IUPAC name of 5-(cyclopentylmethyl)-4-iodo-1,2-oxazol-3-amine (CID 79557646) is 5-(cyclopentylmethyl)-4-iodo-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(cyclopentylmethyl)-4-iodo-1,2-oxazol-3-amine?
The canonical SMILES for 5-(cyclopentylmethyl)-4-iodo-1,2-oxazol-3-amine is Nc1noc(CC2CCCC2)c1I.
What is the InChIKey of 5-(cyclopentylmethyl)-4-iodo-1,2-oxazol-3-amine?
The InChIKey is GBAKXKMWLZBCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2O/c10-8-7(13-12-9(8)11)5-6-3-1-2-4-6/h6H,1-5H2,(H2,11,12).
What are the key properties of 5-(cyclopentylmethyl)-4-iodo-1,2-oxazol-3-amine?
5-(cyclopentylmethyl)-4-iodo-1,2-oxazol-3-amine has a molecular weight of 292.12 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-4-iodo-1,2-oxazol-3-amine is sourced from PubChem (CID 79557646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).