2-iodo-5-(2-methoxyethyl)-1,3,4-oxadiazole

C5H7IN2O2 — CID 114771639

IUPAC2-iodo-5-(2-methoxyethyl)-1,3,4-oxadiazole
SMILESCOCCc1nnc(I)o1
InChIInChI=1S/C5H7IN2O2/c1-9-3-2-4-7-8-5(6)10-4/h2-3H2,1H3
InChIKeyPRWVYIPAJPOTIG-UHFFFAOYSA-N
MW254.03 g/mol
LogP0.86
Rot. Bonds3

About 2-iodo-5-(2-methoxyethyl)-1,3,4-oxadiazole

2-iodo-5-(2-methoxyethyl)-1,3,4-oxadiazole (PubChem CID 114771639) has the molecular formula C5H7IN2O2 and a molecular weight of 254.03 g/mol. Its IUPAC name is 2-iodo-5-(2-methoxyethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-iodo-5-(2-methoxyethyl)-1,3,4-oxadiazole
PubChem CID114771639
Molecular FormulaC5H7IN2O2
Molecular Weight254.03 g/mol
Exact Mass253.96
IUPAC Name2-iodo-5-(2-methoxyethyl)-1,3,4-oxadiazole
SMILESCOCCc1nnc(I)o1
InChIInChI=1S/C5H7IN2O2/c1-9-3-2-4-7-8-5(6)10-4/h2-3H2,1H3
InChIKeyPRWVYIPAJPOTIG-UHFFFAOYSA-N
XLogP0.86
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.03
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]arsane
CID 173259055
2-(2-chloroethyl)-5-(2-methoxyethyl)-1,3,4-oxadiazole
CID 62588931
2-(3-ethoxypropyl)-5-iodo-1,3,4-oxadiazole
CID 114771817
3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62589148
3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62589702
methyl 5-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619032
2-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]ethanol
CID 122164310
2-iodo-5-(2,4,4-trimethylpentyl)-1,3,4-oxadiazole
CID 114771629
[5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630421
2-iodo-5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazole
CID 114771865
4-chloro-2-[[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]amino]phenol
CID 110456448
5-(2-methoxyethyl)-1,2,4-oxadiazol-3-amine
CID 63692228

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-(2-methoxyethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-iodo-5-(2-methoxyethyl)-1,3,4-oxadiazole (CID 114771639) is 2-iodo-5-(2-methoxyethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-iodo-5-(2-methoxyethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-iodo-5-(2-methoxyethyl)-1,3,4-oxadiazole is COCCc1nnc(I)o1.
What is the InChIKey of 2-iodo-5-(2-methoxyethyl)-1,3,4-oxadiazole?
The InChIKey is PRWVYIPAJPOTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IN2O2/c1-9-3-2-4-7-8-5(6)10-4/h2-3H2,1H3.
What are the key properties of 2-iodo-5-(2-methoxyethyl)-1,3,4-oxadiazole?
2-iodo-5-(2-methoxyethyl)-1,3,4-oxadiazole has a molecular weight of 254.03 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-(2-methoxyethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 114771639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).