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

C16H15N5O2 — CID 56770168

IUPAC1-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol
SMILESOC1CCN(c2cc(-c3nc(-c4ccncc4)no3)ccn2)C1
InChIInChI=1S/C16H15N5O2/c22-13-4-8-21(10-13)14-9-12(3-7-18-14)16-19-15(20-23-16)11-1-5-17-6-2-11/h1-3,5-7,9,13,22H,4,8,10H2
InChIKeyXLWPOSCVTYTQPO-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.76
Rot. Bonds3

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

1-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 56770168) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol
PubChem CID56770168
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name1-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol
SMILESOC1CCN(c2cc(-c3nc(-c4ccncc4)no3)ccn2)C1
InChIInChI=1S/C16H15N5O2/c22-13-4-8-21(10-13)14-9-12(3-7-18-14)16-19-15(20-23-16)11-1-5-17-6-2-11/h1-3,5-7,9,13,22H,4,8,10H2
InChIKeyXLWPOSCVTYTQPO-UHFFFAOYSA-N
XLogP1.76
TPSA88.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of 1-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol (CID 56770168) is 1-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol is OC1CCN(c2cc(-c3nc(-c4ccncc4)no3)ccn2)C1.
What is the InChIKey of 1-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is XLWPOSCVTYTQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-13-4-8-21(10-13)14-9-12(3-7-18-14)16-19-15(20-23-16)11-1-5-17-6-2-11/h1-3,5-7,9,13,22H,4,8,10H2.
What are the key properties of 1-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol?
1-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 309.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 56770168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).