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

C15H14N6O — CID 51137923

IUPAC2-pyridin-4-yl-5-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESc1cnc(N2CC[C@H](c3nnc(-c4ccncc4)o3)C2)nc1
InChIInChI=1S/C15H14N6O/c1-5-17-15(18-6-1)21-9-4-12(10-21)14-20-19-13(22-14)11-2-7-16-8-3-11/h1-3,5-8,12H,4,9-10H2/t12-/m0/s1
InChIKeyQCZUBGIEYCQFKU-LBPRGKRZSA-N
MW294.32 g/mol
LogP1.92
Rot. Bonds3

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

2-pyridin-4-yl-5-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 51137923) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-pyridin-4-yl-5-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-pyridin-4-yl-5-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID51137923
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name2-pyridin-4-yl-5-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESc1cnc(N2CC[C@H](c3nnc(-c4ccncc4)o3)C2)nc1
InChIInChI=1S/C15H14N6O/c1-5-17-15(18-6-1)21-9-4-12(10-21)14-20-19-13(22-14)11-2-7-16-8-3-11/h1-3,5-8,12H,4,9-10H2/t12-/m0/s1
InChIKeyQCZUBGIEYCQFKU-LBPRGKRZSA-N
XLogP1.92
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-5-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-pyridin-4-yl-5-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole (CID 51137923) is 2-pyridin-4-yl-5-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-pyridin-4-yl-5-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-pyridin-4-yl-5-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole is c1cnc(N2CC[C@H](c3nnc(-c4ccncc4)o3)C2)nc1.
What is the InChIKey of 2-pyridin-4-yl-5-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is QCZUBGIEYCQFKU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H14N6O/c1-5-17-15(18-6-1)21-9-4-12(10-21)14-20-19-13(22-14)11-2-7-16-8-3-11/h1-3,5-8,12H,4,9-10H2/t12-/m0/s1.
What are the key properties of 2-pyridin-4-yl-5-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole?
2-pyridin-4-yl-5-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 294.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-5-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 51137923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).