1-[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-2-(oxetan-3-yloxy)ethanone

C16H17FN2O3 — CID 167321556

IUPAC1-[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-2-(oxetan-3-yloxy)ethanone
SMILESC[C@H](c1ccccc1)n1cnc(F)c1C(=O)COC1COC1
InChIInChI=1S/C16H17FN2O3/c1-11(12-5-3-2-4-6-12)19-10-18-16(17)15(19)14(20)9-22-13-7-21-8-13/h2-6,10-11,13H,7-9H2,1H3/t11-/m1/s1
InChIKeyBOMCTLHITDHERK-LLVKDONJSA-N
MW304.32 g/mol
LogP2.23
Rot. Bonds6

About 1-[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-2-(oxetan-3-yloxy)ethanone

1-[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-2-(oxetan-3-yloxy)ethanone (PubChem CID 167321556) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-2-(oxetan-3-yloxy)ethanone.

Molecular Properties

Compound Name1-[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-2-(oxetan-3-yloxy)ethanone
PubChem CID167321556
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name1-[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-2-(oxetan-3-yloxy)ethanone
SMILESC[C@H](c1ccccc1)n1cnc(F)c1C(=O)COC1COC1
InChIInChI=1S/C16H17FN2O3/c1-11(12-5-3-2-4-6-12)19-10-18-16(17)15(19)14(20)9-22-13-7-21-8-13/h2-6,10-11,13H,7-9H2,1H3/t11-/m1/s1
InChIKeyBOMCTLHITDHERK-LLVKDONJSA-N
XLogP2.23
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-2-(oxetan-3-yloxy)ethanone?
The IUPAC name of 1-[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-2-(oxetan-3-yloxy)ethanone (CID 167321556) is 1-[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-2-(oxetan-3-yloxy)ethanone.
What is the SMILES notation for 1-[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-2-(oxetan-3-yloxy)ethanone?
The canonical SMILES for 1-[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-2-(oxetan-3-yloxy)ethanone is C[C@H](c1ccccc1)n1cnc(F)c1C(=O)COC1COC1.
What is the InChIKey of 1-[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-2-(oxetan-3-yloxy)ethanone?
The InChIKey is BOMCTLHITDHERK-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-11(12-5-3-2-4-6-12)19-10-18-16(17)15(19)14(20)9-22-13-7-21-8-13/h2-6,10-11,13H,7-9H2,1H3/t11-/m1/s1.
What are the key properties of 1-[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-2-(oxetan-3-yloxy)ethanone?
1-[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-2-(oxetan-3-yloxy)ethanone has a molecular weight of 304.32 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-3-[(1R)-1-phenylethyl]imidazol-4-yl]-2-(oxetan-3-yloxy)ethanone is sourced from PubChem (CID 167321556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).