5-(2-bicyclo[2.2.1]heptanylmethyl)-4-iodo-1,2-oxazol-3-amine

C11H15IN2O — CID 79557816

IUPAC5-(2-bicyclo[2.2.1]heptanylmethyl)-4-iodo-1,2-oxazol-3-amine
SMILESNc1noc(CC2CC3CCC2C3)c1I
InChIInChI=1S/C11H15IN2O/c12-10-9(15-14-11(10)13)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H2,13,14)
InChIKeyVWDSRMOHOAPXOH-UHFFFAOYSA-N
MW318.16 g/mol
LogP2.84
Rot. Bonds2

About 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-iodo-1,2-oxazol-3-amine

5-(2-bicyclo[2.2.1]heptanylmethyl)-4-iodo-1,2-oxazol-3-amine (PubChem CID 79557816) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-iodo-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanylmethyl)-4-iodo-1,2-oxazol-3-amine
PubChem CID79557816
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Name5-(2-bicyclo[2.2.1]heptanylmethyl)-4-iodo-1,2-oxazol-3-amine
SMILESNc1noc(CC2CC3CCC2C3)c1I
InChIInChI=1S/C11H15IN2O/c12-10-9(15-14-11(10)13)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H2,13,14)
InChIKeyVWDSRMOHOAPXOH-UHFFFAOYSA-N
XLogP2.84
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine
CID 66200932
5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 66198936
5-(2-bicyclo[2.2.1]heptanylmethyl)-3-iodo-1,2,4-oxadiazole
CID 112572311
5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198674
3-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1,2,4-oxadiazole
CID 130970925
5-(2-adamantyl)-4-iodo-1,2-oxazol-3-amine
CID 81096508
3-(2-bicyclo[2.2.1]heptanylmethyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335705
5-(2-cyclohexylethyl)-4-iodo-1,2-oxazol-3-amine
CID 79557283
3-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 43157972
(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
CID 98085317
1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352919
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 63683904

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-iodo-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-iodo-1,2-oxazol-3-amine (CID 79557816) is 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-iodo-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-iodo-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-iodo-1,2-oxazol-3-amine is Nc1noc(CC2CC3CCC2C3)c1I.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-iodo-1,2-oxazol-3-amine?
The InChIKey is VWDSRMOHOAPXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c12-10-9(15-14-11(10)13)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H2,13,14).
What are the key properties of 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-iodo-1,2-oxazol-3-amine?
5-(2-bicyclo[2.2.1]heptanylmethyl)-4-iodo-1,2-oxazol-3-amine has a molecular weight of 318.16 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanylmethyl)-4-iodo-1,2-oxazol-3-amine is sourced from PubChem (CID 79557816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).