2-tert-butyl-4-iodo-5-methyl-1,3-oxazole

C8H12INO — CID 146379675

IUPAC2-tert-butyl-4-iodo-5-methyl-1,3-oxazole
SMILESCc1oc(C(C)(C)C)nc1I
InChIInChI=1S/C8H12INO/c1-5-6(9)10-7(11-5)8(2,3)4/h1-4H3
InChIKeyYJJUIQMQMVRQHB-UHFFFAOYSA-N
MW265.09 g/mol
LogP2.89
Rot. Bonds

About 2-tert-butyl-4-iodo-5-methyl-1,3-oxazole

2-tert-butyl-4-iodo-5-methyl-1,3-oxazole (PubChem CID 146379675) has the molecular formula C8H12INO and a molecular weight of 265.09 g/mol. Its IUPAC name is 2-tert-butyl-4-iodo-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-4-iodo-5-methyl-1,3-oxazole
PubChem CID146379675
Molecular FormulaC8H12INO
Molecular Weight265.09 g/mol
Exact Mass265.00
IUPAC Name2-tert-butyl-4-iodo-5-methyl-1,3-oxazole
SMILESCc1oc(C(C)(C)C)nc1I
InChIInChI=1S/C8H12INO/c1-5-6(9)10-7(11-5)8(2,3)4/h1-4H3
InChIKeyYJJUIQMQMVRQHB-UHFFFAOYSA-N
XLogP2.89
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-iodo-5-methyl-1,3-oxazole?
The IUPAC name of 2-tert-butyl-4-iodo-5-methyl-1,3-oxazole (CID 146379675) is 2-tert-butyl-4-iodo-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-4-iodo-5-methyl-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-4-iodo-5-methyl-1,3-oxazole is Cc1oc(C(C)(C)C)nc1I.
What is the InChIKey of 2-tert-butyl-4-iodo-5-methyl-1,3-oxazole?
The InChIKey is YJJUIQMQMVRQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12INO/c1-5-6(9)10-7(11-5)8(2,3)4/h1-4H3.
What are the key properties of 2-tert-butyl-4-iodo-5-methyl-1,3-oxazole?
2-tert-butyl-4-iodo-5-methyl-1,3-oxazole has a molecular weight of 265.09 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-iodo-5-methyl-1,3-oxazole is sourced from PubChem (CID 146379675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).