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

C11H11ClN4O2 — CID 106743743

IUPAC3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESOC1(c2nc(-c3ncccc3Cl)no2)CCNC1
InChIInChI=1S/C11H11ClN4O2/c12-7-2-1-4-14-8(7)9-15-10(18-16-9)11(17)3-5-13-6-11/h1-2,4,13,17H,3,5-6H2
InChIKeyHRYIWAKMLDRFHW-UHFFFAOYSA-N
MW266.69 g/mol
LogP0.97
Rot. Bonds2

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

3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 106743743) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID106743743
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESOC1(c2nc(-c3ncccc3Cl)no2)CCNC1
InChIInChI=1S/C11H11ClN4O2/c12-7-2-1-4-14-8(7)9-15-10(18-16-9)11(17)3-5-13-6-11/h1-2,4,13,17H,3,5-6H2
InChIKeyHRYIWAKMLDRFHW-UHFFFAOYSA-N
XLogP0.97
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 106743743) is 3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is OC1(c2nc(-c3ncccc3Cl)no2)CCNC1.
What is the InChIKey of 3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is HRYIWAKMLDRFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c12-7-2-1-4-14-8(7)9-15-10(18-16-9)11(17)3-5-13-6-11/h1-2,4,13,17H,3,5-6H2.
What are the key properties of 3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 266.69 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 106743743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).