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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Related Compounds

2-tert-butyl-5-chloro-4-fluoro-1,3-oxazole
CID 146378622
CID 159015287
CID 159015287
2-(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)morpholine
CID 105482172
4-bromo-2-tert-butyl-6-iodo-[1,3]oxazolo[4,5-c]pyridine-7-carboxylic acid
CID 50986349
2-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypropanoic acid
CID 83391697
2-tert-butyl-5-chloro-1,3-oxazole-4-carbonitrile
CID 137347408
2-tert-butyl-7-methyl-1,3-benzoxazol-5-amine
CID 91674944
2-tert-butyl-5-(iodomethyl)-1,3,4-oxadiazole
CID 64786620
2-tert-butyl-5-hexan-2-yl-4-methyl-1,3-oxazole
CID 138661537
2-tert-butyl-4-(4-fluorophenyl)-5-(4-methylphenyl)-1,3-oxazole
CID 54451182
4-tert-butyl-5-iodo-2-methylpyrimidine
CID 146377415
5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-N-hydroxy-2-methyl-1,3-dioxane-2-carboxamide
CID 52939315

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).