5-pyridin-2-yl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole

C11H12N4O — CID 99727845

IUPAC5-pyridin-2-yl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESc1ccc(-c2nc([C@H]3CCNC3)no2)nc1
InChIInChI=1S/C11H12N4O/c1-2-5-13-9(3-1)11-14-10(15-16-11)8-4-6-12-7-8/h1-3,5,8,12H,4,6-7H2/t8-/m0/s1
InChIKeyWMOAUNZXFBADQD-QMMMGPOBSA-N
MW216.24 g/mol
LogP1.21
Rot. Bonds2

About 5-pyridin-2-yl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole

5-pyridin-2-yl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 99727845) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-pyridin-2-yl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-pyridin-2-yl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID99727845
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name5-pyridin-2-yl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESc1ccc(-c2nc([C@H]3CCNC3)no2)nc1
InChIInChI=1S/C11H12N4O/c1-2-5-13-9(3-1)11-14-10(15-16-11)8-4-6-12-7-8/h1-3,5,8,12H,4,6-7H2/t8-/m0/s1
InChIKeyWMOAUNZXFBADQD-QMMMGPOBSA-N
XLogP1.21
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-pyridin-2-yl-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 86820421
5-pyridin-2-yl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727844
3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 68962118
5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727838
5-(4-fluorophenyl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 84696560
3-piperidin-4-yl-5-pyrazin-2-yl-1,2,4-oxadiazole
CID 55150898
5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 86326580
5-(3-chlorophenyl)-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 129462471
3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 146064536
3-(2-piperidin-3-ylethyl)-5-pyridin-2-yl-1,2,4-oxadiazole
CID 176515486
5-(4-phenylphenyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 59657751
5-(2,6-difluorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024920

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-pyridin-2-yl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 99727845) is 5-pyridin-2-yl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-pyridin-2-yl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-pyridin-2-yl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole is c1ccc(-c2nc([C@H]3CCNC3)no2)nc1.
What is the InChIKey of 5-pyridin-2-yl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is WMOAUNZXFBADQD-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12N4O/c1-2-5-13-9(3-1)11-14-10(15-16-11)8-4-6-12-7-8/h1-3,5,8,12H,4,6-7H2/t8-/m0/s1.
What are the key properties of 5-pyridin-2-yl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
5-pyridin-2-yl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 216.24 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-yl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 99727845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).