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

C11H10Br2N4O2 — CID 106743645

IUPAC3-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESOC1(c2nc(-c3ncc(Br)cc3Br)no2)CCNC1
InChIInChI=1S/C11H10Br2N4O2/c12-6-3-7(13)8(15-4-6)9-16-10(19-17-9)11(18)1-2-14-5-11/h3-4,14,18H,1-2,5H2
InChIKeyGFYHVUNURJNSSL-UHFFFAOYSA-N
MW390.04 g/mol
LogP1.84
Rot. Bonds2

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

3-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 106743645) has the molecular formula C11H10Br2N4O2 and a molecular weight of 390.04 g/mol. Its IUPAC name is 3-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID106743645
Molecular FormulaC11H10Br2N4O2
Molecular Weight390.04 g/mol
Exact Mass387.92
IUPAC Name3-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESOC1(c2nc(-c3ncc(Br)cc3Br)no2)CCNC1
InChIInChI=1S/C11H10Br2N4O2/c12-6-3-7(13)8(15-4-6)9-16-10(19-17-9)11(18)1-2-14-5-11/h3-4,14,18H,1-2,5H2
InChIKeyGFYHVUNURJNSSL-UHFFFAOYSA-N
XLogP1.84
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.04
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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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-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743743
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743243
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743319
3-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950349
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743581
3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743309
3-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950221
3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride
CID 86775615
3-(3,5-dibromo-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912043
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950381
3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950142

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 3-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 106743645) is 3-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is OC1(c2nc(-c3ncc(Br)cc3Br)no2)CCNC1.
What is the InChIKey of 3-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is GFYHVUNURJNSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N4O2/c12-6-3-7(13)8(15-4-6)9-16-10(19-17-9)11(18)1-2-14-5-11/h3-4,14,18H,1-2,5H2.
What are the key properties of 3-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
3-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 390.04 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 106743645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).