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

C10H13IN2O — CID 112572311

IUPAC5-(2-bicyclo[2.2.1]heptanylmethyl)-3-iodo-1,2,4-oxadiazole
SMILESIc1noc(CC2CC3CCC2C3)n1
InChIInChI=1S/C10H13IN2O/c11-10-12-9(14-13-10)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2
InChIKeyGUZHLCATKBHCPI-UHFFFAOYSA-N
MW304.13 g/mol
LogP2.65
Rot. Bonds2

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

5-(2-bicyclo[2.2.1]heptanylmethyl)-3-iodo-1,2,4-oxadiazole (PubChem CID 112572311) has the molecular formula C10H13IN2O and a molecular weight of 304.13 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-iodo-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanylmethyl)-3-iodo-1,2,4-oxadiazole
PubChem CID112572311
Molecular FormulaC10H13IN2O
Molecular Weight304.13 g/mol
Exact Mass304.01
IUPAC Name5-(2-bicyclo[2.2.1]heptanylmethyl)-3-iodo-1,2,4-oxadiazole
SMILESIc1noc(CC2CC3CCC2C3)n1
InChIInChI=1S/C10H13IN2O/c11-10-12-9(14-13-10)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2
InChIKeyGUZHLCATKBHCPI-UHFFFAOYSA-N
XLogP2.65
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352919
2-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972002
5-(2-bicyclo[2.2.1]heptanylmethyl)-4-iodo-1,2-oxazol-3-amine
CID 79557816
3-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1,2,4-oxadiazole
CID 130970925
5-(cycloheptylmethyl)-3-iodo-1,2,4-oxadiazole
CID 114458862
(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
CID 98085317
5-[[(1S,2S)-2-cyclopropylcyclopropyl]methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 165484639
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
(E)-3-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81257541
3-(2-bicyclo[2.2.1]heptanylmethyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335705
1-[5-(2-bicyclo[2.2.1]heptanylmethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 62858266
2-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzoxazole-6-carboxylic acid
CID 81340884

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-iodo-1,2,4-oxadiazole?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-iodo-1,2,4-oxadiazole (CID 112572311) is 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-iodo-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-iodo-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-iodo-1,2,4-oxadiazole is Ic1noc(CC2CC3CCC2C3)n1.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-iodo-1,2,4-oxadiazole?
The InChIKey is GUZHLCATKBHCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O/c11-10-12-9(14-13-10)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2.
What are the key properties of 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-iodo-1,2,4-oxadiazole?
5-(2-bicyclo[2.2.1]heptanylmethyl)-3-iodo-1,2,4-oxadiazole has a molecular weight of 304.13 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-iodo-1,2,4-oxadiazole is sourced from PubChem (CID 112572311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).