(S)-(4-fluorophenyl)-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]methanol

C17H13FN4O3 — CID 99828125

IUPAC(S)-(4-fluorophenyl)-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]methanol
SMILESO[C@@H](c1ccc(F)cc1)c1nccn1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C17H13FN4O3/c18-12-5-3-11(4-6-12)15(23)17-19-7-8-22(17)10-14-20-16(21-25-14)13-2-1-9-24-13/h1-9,15,23H,10H2/t15-/m0/s1
InChIKeyNWSDBDISJCVCKL-HNNXBMFYSA-N
MW340.31 g/mol
LogP2.80
Rot. Bonds5

About (S)-(4-fluorophenyl)-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]methanol

(S)-(4-fluorophenyl)-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]methanol (PubChem CID 99828125) has the molecular formula C17H13FN4O3 and a molecular weight of 340.31 g/mol. Its IUPAC name is (S)-(4-fluorophenyl)-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]methanol.

Molecular Properties

Compound Name(S)-(4-fluorophenyl)-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]methanol
PubChem CID99828125
Molecular FormulaC17H13FN4O3
Molecular Weight340.31 g/mol
Exact Mass340.10
IUPAC Name(S)-(4-fluorophenyl)-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]methanol
SMILESO[C@@H](c1ccc(F)cc1)c1nccn1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C17H13FN4O3/c18-12-5-3-11(4-6-12)15(23)17-19-7-8-22(17)10-14-20-16(21-25-14)13-2-1-9-24-13/h1-9,15,23H,10H2/t15-/m0/s1
InChIKeyNWSDBDISJCVCKL-HNNXBMFYSA-N
XLogP2.80
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (S)-(4-fluorophenyl)-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]methanol?
The IUPAC name of (S)-(4-fluorophenyl)-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]methanol (CID 99828125) is (S)-(4-fluorophenyl)-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]methanol.
What is the SMILES notation for (S)-(4-fluorophenyl)-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]methanol?
The canonical SMILES for (S)-(4-fluorophenyl)-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]methanol is O[C@@H](c1ccc(F)cc1)c1nccn1Cc1nc(-c2ccco2)no1.
What is the InChIKey of (S)-(4-fluorophenyl)-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]methanol?
The InChIKey is NWSDBDISJCVCKL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H13FN4O3/c18-12-5-3-11(4-6-12)15(23)17-19-7-8-22(17)10-14-20-16(21-25-14)13-2-1-9-24-13/h1-9,15,23H,10H2/t15-/m0/s1.
What are the key properties of (S)-(4-fluorophenyl)-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]methanol?
(S)-(4-fluorophenyl)-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]methanol has a molecular weight of 340.31 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-fluorophenyl)-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]methanol is sourced from PubChem (CID 99828125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).