5-iodo-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole

C14H18IN3O3 — CID 166757161

IUPAC5-iodo-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole
SMILESCC(OC1CCCCO1)c1nccn1Cc1cc(I)on1
InChIInChI=1S/C14H18IN3O3/c1-10(20-13-4-2-3-7-19-13)14-16-5-6-18(14)9-11-8-12(15)21-17-11/h5-6,8,10,13H,2-4,7,9H2,1H3
InChIKeySNPUTGYESWUNEV-UHFFFAOYSA-N
MW403.22 g/mol
LogP3.13
Rot. Bonds5

About 5-iodo-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole

5-iodo-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole (PubChem CID 166757161) has the molecular formula C14H18IN3O3 and a molecular weight of 403.22 g/mol. Its IUPAC name is 5-iodo-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-iodo-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole
PubChem CID166757161
Molecular FormulaC14H18IN3O3
Molecular Weight403.22 g/mol
Exact Mass403.04
IUPAC Name5-iodo-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole
SMILESCC(OC1CCCCO1)c1nccn1Cc1cc(I)on1
InChIInChI=1S/C14H18IN3O3/c1-10(20-13-4-2-3-7-19-13)14-16-5-6-18(14)9-11-8-12(15)21-17-11/h5-6,8,10,13H,2-4,7,9H2,1H3
InChIKeySNPUTGYESWUNEV-UHFFFAOYSA-N
XLogP3.13
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.22
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-iodo-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-5-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2-oxazole
CID 172515361
4-[2-[4-[3-[[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]benzonitrile
CID 167451622
5-iodo-3-[(1R)-1-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]propyl]-1,2-oxazole
CID 163591512
4-[4-[3-[[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]but-3-yn-1-ol
CID 171521416
4-[2-[4-[3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]benzamide
CID 174239416
2-[4-[2-[4-[3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]phenoxy]acetonitrile
CID 175576361
1-[4-[2-[4-[3-[[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]phenyl]piperidin-4-ol
CID 167451769
5-[4-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethynyl]phenyl]-3-[[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole
CID 167451758
3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-5-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]ethynyl]phenyl]-1,2-oxazole
CID 174239303
5-[2-[4-[3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]pyridine-2-carboxamide
CID 174239477
3-[2-[4-[3-[[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]benzamide
CID 167451709
3-[4-[2-[4-[3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]phenyl]propanoic acid
CID 175576407

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-iodo-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole (CID 166757161) is 5-iodo-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-iodo-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-iodo-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole is CC(OC1CCCCO1)c1nccn1Cc1cc(I)on1.
What is the InChIKey of 5-iodo-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is SNPUTGYESWUNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18IN3O3/c1-10(20-13-4-2-3-7-19-13)14-16-5-6-18(14)9-11-8-12(15)21-17-11/h5-6,8,10,13H,2-4,7,9H2,1H3.
What are the key properties of 5-iodo-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole?
5-iodo-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 403.22 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 166757161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).