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

C11H12N4O — CID 51137288

IUPAC2-pyridin-4-yl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESc1cc(-c2nnc([C@H]3CCNC3)o2)ccn1
InChIInChI=1S/C11H12N4O/c1-4-12-5-2-8(1)10-14-15-11(16-10)9-3-6-13-7-9/h1-2,4-5,9,13H,3,6-7H2/t9-/m0/s1
InChIKeyRBACDHUYCHTGCT-VIFPVBQESA-N
MW216.24 g/mol
LogP1.21
Rot. Bonds2

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

2-pyridin-4-yl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 51137288) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-pyridin-4-yl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-pyridin-4-yl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID51137288
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-pyridin-4-yl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESc1cc(-c2nnc([C@H]3CCNC3)o2)ccn1
InChIInChI=1S/C11H12N4O/c1-4-12-5-2-8(1)10-14-15-11(16-10)9-3-6-13-7-9/h1-2,4-5,9,13H,3,6-7H2/t9-/m0/s1
InChIKeyRBACDHUYCHTGCT-VIFPVBQESA-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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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-pyridin-4-yl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole (CID 51137288) is 2-pyridin-4-yl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-pyridin-4-yl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-pyridin-4-yl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole is c1cc(-c2nnc([C@H]3CCNC3)o2)ccn1.
What is the InChIKey of 2-pyridin-4-yl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is RBACDHUYCHTGCT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12N4O/c1-4-12-5-2-8(1)10-14-15-11(16-10)9-3-6-13-7-9/h1-2,4-5,9,13H,3,6-7H2/t9-/m0/s1.
What are the key properties of 2-pyridin-4-yl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole?
2-pyridin-4-yl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-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 2-pyridin-4-yl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 51137288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).