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

C16H22IN3O3 — CID 163591512

IUPAC5-iodo-3-[(1R)-1-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]propyl]-1,2-oxazole
SMILESCC[C@H](c1cc(I)on1)n1ccnc1[C@H](C)OC1CCCCO1
InChIInChI=1S/C16H22IN3O3/c1-3-13(12-10-14(17)23-19-12)20-8-7-18-16(20)11(2)22-15-6-4-5-9-21-15/h7-8,10-11,13,15H,3-6,9H2,1-2H3/t11-,13+,15?/m0/s1
InChIKeyUAUYSYJPHNUWGI-OZDYYWIQSA-N
MW431.27 g/mol
LogP4.08
Rot. Bonds6

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

5-iodo-3-[(1R)-1-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]propyl]-1,2-oxazole (PubChem CID 163591512) has the molecular formula C16H22IN3O3 and a molecular weight of 431.27 g/mol. Its IUPAC name is 5-iodo-3-[(1R)-1-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]propyl]-1,2-oxazole.

Molecular Properties

Compound Name5-iodo-3-[(1R)-1-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]propyl]-1,2-oxazole
PubChem CID163591512
Molecular FormulaC16H22IN3O3
Molecular Weight431.27 g/mol
Exact Mass431.07
IUPAC Name5-iodo-3-[(1R)-1-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]propyl]-1,2-oxazole
SMILESCC[C@H](c1cc(I)on1)n1ccnc1[C@H](C)OC1CCCCO1
InChIInChI=1S/C16H22IN3O3/c1-3-13(12-10-14(17)23-19-12)20-8-7-18-16(20)11(2)22-15-6-4-5-9-21-15/h7-8,10-11,13,15H,3-6,9H2,1-2H3/t11-,13+,15?/m0/s1
InChIKeyUAUYSYJPHNUWGI-OZDYYWIQSA-N
XLogP4.08
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.27
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole
CID 166757161
2-[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]but-3-ynylcarbamic acid
CID 166757118
2-butan-2-yloxyoxane
CID 559028
(3S)-5-(4-bromophenyl)-3-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]pent-4-yn-1-ol
CID 170943114
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
3-[[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-5-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2-oxazole
CID 172515361
5-(4-iodophenyl)-3-[[4-methyl-2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole
CID 166757555
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
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
(2S)-4-[4-[4-(3-methyloxetan-3-yl)oxyphenyl]phenyl]-2-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]but-3-yn-1-ol
CID 170792750
[(2S)-4-(4-bromophenyl)-2-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]but-3-ynyl]carbamic acid
CID 174235084
4-[2-[4-[3-[[2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]benzamide
CID 174239416

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-[(1R)-1-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]propyl]-1,2-oxazole?
The IUPAC name of 5-iodo-3-[(1R)-1-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]propyl]-1,2-oxazole (CID 163591512) is 5-iodo-3-[(1R)-1-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]propyl]-1,2-oxazole.
What is the SMILES notation for 5-iodo-3-[(1R)-1-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]propyl]-1,2-oxazole?
The canonical SMILES for 5-iodo-3-[(1R)-1-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]propyl]-1,2-oxazole is CC[C@H](c1cc(I)on1)n1ccnc1[C@H](C)OC1CCCCO1.
What is the InChIKey of 5-iodo-3-[(1R)-1-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]propyl]-1,2-oxazole?
The InChIKey is UAUYSYJPHNUWGI-OZDYYWIQSA-N. The full InChI is InChI=1S/C16H22IN3O3/c1-3-13(12-10-14(17)23-19-12)20-8-7-18-16(20)11(2)22-15-6-4-5-9-21-15/h7-8,10-11,13,15H,3-6,9H2,1-2H3/t11-,13+,15?/m0/s1.
What are the key properties of 5-iodo-3-[(1R)-1-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]propyl]-1,2-oxazole?
5-iodo-3-[(1R)-1-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]propyl]-1,2-oxazole has a molecular weight of 431.27 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-[(1R)-1-[2-[(1S)-1-(oxan-2-yloxy)ethyl]imidazol-1-yl]propyl]-1,2-oxazole is sourced from PubChem (CID 163591512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).