3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

C13H14FN3O2 — CID 106743581

IUPAC3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCc1cc(F)ccc1-c1noc(C2(O)CCNC2)n1
InChIInChI=1S/C13H14FN3O2/c1-8-6-9(14)2-3-10(8)11-16-12(19-17-11)13(18)4-5-15-7-13/h2-3,6,15,18H,4-5,7H2,1H3
InChIKeyXKINLDKPRHVSKR-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.37
Rot. Bonds2

About 3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 106743581) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID106743581
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCc1cc(F)ccc1-c1noc(C2(O)CCNC2)n1
InChIInChI=1S/C13H14FN3O2/c1-8-6-9(14)2-3-10(8)11-16-12(19-17-11)13(18)4-5-15-7-13/h2-3,6,15,18H,4-5,7H2,1H3
InChIKeyXKINLDKPRHVSKR-UHFFFAOYSA-N
XLogP1.37
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107923475
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743319
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950086
1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81274229
3-(2-bromo-4-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 107280145
3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743289
3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950142
2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813512
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743243
3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride
CID 86775615
3-(4-fluoro-2-methylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 81273703
3-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743507

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 106743581) is 3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is Cc1cc(F)ccc1-c1noc(C2(O)CCNC2)n1.
What is the InChIKey of 3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is XKINLDKPRHVSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-8-6-9(14)2-3-10(8)11-16-12(19-17-11)13(18)4-5-15-7-13/h2-3,6,15,18H,4-5,7H2,1H3.
What are the key properties of 3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 263.27 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 106743581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).