[2-fluoro-5-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol

C23H20FN3O2 — CID 56883177

IUPAC[2-fluoro-5-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol
SMILESOCc1cc(-c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)ccc1F
InChIInChI=1S/C23H20FN3O2/c24-20-11-9-17(13-19(20)15-28)21-12-10-18(14-25-21)23-26-22(27-29-23)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-14,28H,4,7-8,15H2
InChIKeySJJIGBFYEFPQJY-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.61
Rot. Bonds7

About [2-fluoro-5-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol

[2-fluoro-5-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol (PubChem CID 56883177) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is [2-fluoro-5-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-5-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol
PubChem CID56883177
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name[2-fluoro-5-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol
SMILESOCc1cc(-c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)ccc1F
InChIInChI=1S/C23H20FN3O2/c24-20-11-9-17(13-19(20)15-28)21-12-10-18(14-25-21)23-26-22(27-29-23)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-14,28H,4,7-8,15H2
InChIKeySJJIGBFYEFPQJY-UHFFFAOYSA-N
XLogP4.61
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Naphthalen-1-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 757874
3-(2-Pyridyl)-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 6463470
2-(5-Biphenyl-4-yl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 838877
3-{5-[2-(2-Phenylethyl)phenyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 1255330
3-(4-(5-(6-Isobutylpyridin-3-yl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)propanoic acid
CID 44412702
[1-[5-[3-(2-Fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol
CID 45226955
2-[4-(5-{3-[3-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-YL}pyridin-2-YL)piperazin-1-YL]ethanol
CID 70724909
5-(3,4-Difluorophenyl)-3-(6-methylpyridin-3-yl)-1,2,4-oxadiazole
CID 145989809
4-[3-fluoro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71015612
4-[3-fluoro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71042664
2-(2-Fluorophenyl)-N-{2-[5-(pyridin-3-YL)-1,2,4-oxadiazol-3-YL]ethyl}acetamide
CID 91907321
2-{5-[2-(2-Phenylethyl)phenyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 1254062

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol?
The IUPAC name of [2-fluoro-5-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol (CID 56883177) is [2-fluoro-5-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol.
What is the SMILES notation for [2-fluoro-5-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol?
The canonical SMILES for [2-fluoro-5-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol is OCc1cc(-c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)ccc1F.
What is the InChIKey of [2-fluoro-5-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol?
The InChIKey is SJJIGBFYEFPQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c24-20-11-9-17(13-19(20)15-28)21-12-10-18(14-25-21)23-26-22(27-29-23)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-14,28H,4,7-8,15H2.
What are the key properties of [2-fluoro-5-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol?
[2-fluoro-5-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol has a molecular weight of 389.43 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol is sourced from PubChem (CID 56883177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).