5-[(4,5-diiodoimidazol-1-yl)methyl]-1,2-oxazole

C7H5I2N3O — CID 130508280

IUPAC5-[(4,5-diiodoimidazol-1-yl)methyl]-1,2-oxazole
SMILESIc1ncn(Cc2ccno2)c1I
InChIInChI=1S/C7H5I2N3O/c8-6-7(9)12(4-10-6)3-5-1-2-11-13-5/h1-2,4H,3H2
InChIKeyCZNFTBSEHKAVAX-UHFFFAOYSA-N
MW400.95 g/mol
LogP2.13
Rot. Bonds2

About 5-[(4,5-diiodoimidazol-1-yl)methyl]-1,2-oxazole

5-[(4,5-diiodoimidazol-1-yl)methyl]-1,2-oxazole (PubChem CID 130508280) has the molecular formula C7H5I2N3O and a molecular weight of 400.95 g/mol. Its IUPAC name is 5-[(4,5-diiodoimidazol-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[(4,5-diiodoimidazol-1-yl)methyl]-1,2-oxazole
PubChem CID130508280
Molecular FormulaC7H5I2N3O
Molecular Weight400.95 g/mol
Exact Mass400.85
IUPAC Name5-[(4,5-diiodoimidazol-1-yl)methyl]-1,2-oxazole
SMILESIc1ncn(Cc2ccno2)c1I
InChIInChI=1S/C7H5I2N3O/c8-6-7(9)12(4-10-6)3-5-1-2-11-13-5/h1-2,4H,3H2
InChIKeyCZNFTBSEHKAVAX-UHFFFAOYSA-N
XLogP2.13
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 52.13
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

1-methyl-3-(1,2-oxazol-5-ylmethyl)imidazol-2-one
CID 116624467
1-[(5-bromothiophen-2-yl)methyl]-4,5-diiodoimidazole
CID 130508233
[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]methanamine
CID 106422511
3-[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]pyridin-4-amine
CID 106422521
5-(triazol-1-ylmethyl)-1,2-oxazole
CID 130779651
5-iodo-2-(1,2-oxazol-5-ylmethyl)pyridazin-3-one
CID 114553382
3-[(4,5-diiodoimidazol-1-yl)methyl]-5-fluorobenzenecarbothioamide
CID 114272432
5-methyl-3-(1,2-oxazol-5-ylmethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 60673836
5-[(4-chloroindol-1-yl)methyl]-1,2-oxazole
CID 116623604
5-[[5-(3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]methyl]-1,2-oxazole
CID 50975770
5-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,2-oxazole
CID 106422518
5-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]-1,2-oxazole
CID 106422527

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-diiodoimidazol-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-[(4,5-diiodoimidazol-1-yl)methyl]-1,2-oxazole (CID 130508280) is 5-[(4,5-diiodoimidazol-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-[(4,5-diiodoimidazol-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-[(4,5-diiodoimidazol-1-yl)methyl]-1,2-oxazole is Ic1ncn(Cc2ccno2)c1I.
What is the InChIKey of 5-[(4,5-diiodoimidazol-1-yl)methyl]-1,2-oxazole?
The InChIKey is CZNFTBSEHKAVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5I2N3O/c8-6-7(9)12(4-10-6)3-5-1-2-11-13-5/h1-2,4H,3H2.
What are the key properties of 5-[(4,5-diiodoimidazol-1-yl)methyl]-1,2-oxazole?
5-[(4,5-diiodoimidazol-1-yl)methyl]-1,2-oxazole has a molecular weight of 400.95 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-diiodoimidazol-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 130508280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).