1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-2-imidazol-1-ylethanone

C15H16FN3O3 — CID 110146632

IUPAC1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1
InChIInChI=1S/C15H16FN3O3/c16-11-2-1-3-12(6-11)22-14-8-19(7-13(14)20)15(21)9-18-5-4-17-10-18/h1-6,10,13-14,20H,7-9H2/t13-,14-/m1/s1
InChIKeyHZRAOFGIAXWSRI-ZIAGYGMSSA-N
MW305.31 g/mol
LogP0.67
Rot. Bonds4

About 1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-2-imidazol-1-ylethanone

1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-2-imidazol-1-ylethanone (PubChem CID 110146632) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-2-imidazol-1-ylethanone
PubChem CID110146632
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1
InChIInChI=1S/C15H16FN3O3/c16-11-2-1-3-12(6-11)22-14-8-19(7-13(14)20)15(21)9-18-5-4-17-10-18/h1-6,10,13-14,20H,7-9H2/t13-,14-/m1/s1
InChIKeyHZRAOFGIAXWSRI-ZIAGYGMSSA-N
XLogP0.67
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 110146883
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
CID 91769787
[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-pyrimidin-4-ylmethanone
CID 110146581
1-[3-[(3-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-2-imidazol-1-ylethanone
CID 132776946
[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 110146828
(5-fluoro-2-methoxyphenyl)-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]methanone
CID 110147202
1-(3-aminoazetidin-1-yl)-2-imidazol-1-ylethanone
CID 130585938
[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 110147125
2-chloro-1-[3-(3-fluorophenoxy)azetidin-1-yl]ethanone
CID 166415195
2-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone
CID 110158922
2-(2-ethylimidazol-1-yl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]ethanone
CID 110147062
3-(4-fluorophenyl)-1-[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]propan-1-one
CID 110158923

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-2-imidazol-1-ylethanone?
The IUPAC name of 1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-2-imidazol-1-ylethanone (CID 110146632) is 1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-2-imidazol-1-ylethanone?
The canonical SMILES for 1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-2-imidazol-1-ylethanone is O=C(Cn1ccnc1)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1.
What is the InChIKey of 1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-2-imidazol-1-ylethanone?
The InChIKey is HZRAOFGIAXWSRI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H16FN3O3/c16-11-2-1-3-12(6-11)22-14-8-19(7-13(14)20)15(21)9-18-5-4-17-10-18/h1-6,10,13-14,20H,7-9H2/t13-,14-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-2-imidazol-1-ylethanone?
1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-2-imidazol-1-ylethanone has a molecular weight of 305.31 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-2-imidazol-1-ylethanone is sourced from PubChem (CID 110146632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).