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

C12H11F2N3O2 — CID 106743319

IUPAC3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESOC1(c2nc(-c3ccc(F)c(F)c3)no2)CCNC1
InChIInChI=1S/C12H11F2N3O2/c13-8-2-1-7(5-9(8)14)10-16-11(19-17-10)12(18)3-4-15-6-12/h1-2,5,15,18H,3-4,6H2
InChIKeyHYIYEILZARPPNR-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.20
Rot. Bonds2

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

3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 106743319) has the molecular formula C12H11F2N3O2 and a molecular weight of 267.24 g/mol. Its IUPAC name is 3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID106743319
Molecular FormulaC12H11F2N3O2
Molecular Weight267.24 g/mol
Exact Mass267.08
IUPAC Name3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESOC1(c2nc(-c3ccc(F)c(F)c3)no2)CCNC1
InChIInChI=1S/C12H11F2N3O2/c13-8-2-1-7(5-9(8)14)10-16-11(19-17-10)12(18)3-4-15-6-12/h1-2,5,15,18H,3-4,6H2
InChIKeyHYIYEILZARPPNR-UHFFFAOYSA-N
XLogP1.20
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743243
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950086
3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950142
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743581
3-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107923475
1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 61289520
3-(3-bromo-4-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 82810491
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 64888824
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
CID 106950041
3-(3-chloro-4-fluorophenyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983391
3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743289
4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950095

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 106743319) is 3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is OC1(c2nc(-c3ccc(F)c(F)c3)no2)CCNC1.
What is the InChIKey of 3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is HYIYEILZARPPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2/c13-8-2-1-7(5-9(8)14)10-16-11(19-17-10)12(18)3-4-15-6-12/h1-2,5,15,18H,3-4,6H2.
What are the key properties of 3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 267.24 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 106743319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).