4-iodo-3,5-dimethyl-1,2-oxazole

C5H6INO — CID 613883

IUPAC4-iodo-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1I
InChIInChI=1S/C5H6INO/c1-3-5(6)4(2)8-7-3/h1-2H3
InChIKeyNMNOXVWRJISEFE-UHFFFAOYSA-N
MW223.01 g/mol
LogP1.90
Rot. Bonds

About 4-iodo-3,5-dimethyl-1,2-oxazole

4-iodo-3,5-dimethyl-1,2-oxazole (PubChem CID 613883) has the molecular formula C5H6INO and a molecular weight of 223.01 g/mol. Its IUPAC name is 4-iodo-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-iodo-3,5-dimethyl-1,2-oxazole
PubChem CID613883
Molecular FormulaC5H6INO
Molecular Weight223.01 g/mol
Exact Mass222.95
IUPAC Name4-iodo-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1I
InChIInChI=1S/C5H6INO/c1-3-5(6)4(2)8-7-3/h1-2H3
InChIKeyNMNOXVWRJISEFE-UHFFFAOYSA-N
XLogP1.90
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.01
LogP ≤ 51.90
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

3,5-Dimethylisoxazole
CID 9312
3,4,5-Trimethylisoxazole
CID 25375
4-Amino-3,5-dimethylisoxazole
CID 182040
4-Bromo-3,5-dimethyl-1,2-oxazole
CID 318421
4-Ethynyl-3,5-dimethyl-1,2-oxazole
CID 53426609
3,5-Dimethylisoxazole-4-boronic acid
CID 2734346
3,5-Dimethyl-4-(tributylstannyl)isoxazole
CID 15062215
4-Chloro-3,5-dimethylisoxazole
CID 539493
3-Methyl-5-(trifluoromethyl)-1,2-oxazole
CID 16443300
3,5-Dimethylisoxazole-4-carbonitrile
CID 2776140
2-(Dimethyl-1,2-oxazol-4-yl)acetonitrile
CID 13792858
2-(3,5-Dimethyl-1,2-oxazol-4-yl)ethane-1-thiol
CID 25219629

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-iodo-3,5-dimethyl-1,2-oxazole (CID 613883) is 4-iodo-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-iodo-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-iodo-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1I.
What is the InChIKey of 4-iodo-3,5-dimethyl-1,2-oxazole?
The InChIKey is NMNOXVWRJISEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6INO/c1-3-5(6)4(2)8-7-3/h1-2H3.
What are the key properties of 4-iodo-3,5-dimethyl-1,2-oxazole?
4-iodo-3,5-dimethyl-1,2-oxazole has a molecular weight of 223.01 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 613883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).