2-iodo-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole

C7H11IN2O — CID 114771691

IUPAC2-iodo-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole
SMILESCC(C)C(C)c1nnc(I)o1
InChIInChI=1S/C7H11IN2O/c1-4(2)5(3)6-9-10-7(8)11-6/h4-5H,1-3H3
InChIKeySGYCNZFNUOZIBS-UHFFFAOYSA-N
MW266.08 g/mol
LogP2.43
Rot. Bonds2

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

2-iodo-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole (PubChem CID 114771691) has the molecular formula C7H11IN2O and a molecular weight of 266.08 g/mol. Its IUPAC name is 2-iodo-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-iodo-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole
PubChem CID114771691
Molecular FormulaC7H11IN2O
Molecular Weight266.08 g/mol
Exact Mass265.99
IUPAC Name2-iodo-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole
SMILESCC(C)C(C)c1nnc(I)o1
InChIInChI=1S/C7H11IN2O/c1-4(2)5(3)6-9-10-7(8)11-6/h4-5H,1-3H3
InChIKeySGYCNZFNUOZIBS-UHFFFAOYSA-N
XLogP2.43
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 52.43
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

2-[5-[(2S)-3-methylbutan-2-yl]-1,3,4-oxadiazol-2-yl]propanoic acid
CID 122577432
2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-5-iodo-1,3,4-oxadiazole
CID 103311357
2-(1-chloroethyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 16768064
5-iodo-N-methyl-1,3,4-oxadiazol-2-amine
CID 146438012
5-amino-2-(3-methylbutan-2-yl)-1,3-oxazole-4-carbonitrile
CID 66010529
2-iodo-5-(2,4,4-trimethylpentyl)-1,3,4-oxadiazole
CID 114771629
2-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 104530677
2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,6-di(propan-2-yl)pyridazine;bis(1,4-di(propan-2-yl)triazole)
CID 163923227
1-(5-chloro-1,3,4-oxadiazol-2-yl)-2-methylpropan-1-amine
CID 84655414
2-methyl-5-(2,2,4-trimethylpentan-3-yl)-1,3,4-oxadiazole
CID 58124427
5-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 88976321
2-methylsulfonyl-5-propan-2-yl-1,3,4-oxadiazole
CID 54510797

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-iodo-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole (CID 114771691) is 2-iodo-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-iodo-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-iodo-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole is CC(C)C(C)c1nnc(I)o1.
What is the InChIKey of 2-iodo-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole?
The InChIKey is SGYCNZFNUOZIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN2O/c1-4(2)5(3)6-9-10-7(8)11-6/h4-5H,1-3H3.
What are the key properties of 2-iodo-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole?
2-iodo-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole has a molecular weight of 266.08 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 114771691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).