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

C10H9F2N5O — CID 110203262

IUPAC5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole
SMILESFC1(F)CN[C@H](c2nc(-c3ncccn3)no2)C1
InChIInChI=1S/C10H9F2N5O/c11-10(12)4-6(15-5-10)9-16-8(17-18-9)7-13-2-1-3-14-7/h1-3,6,15H,4-5H2/t6-/m0/s1
InChIKeyPIEZCXPUNOZFPZ-LURJTMIESA-N
MW253.21 g/mol
LogP1.20
Rot. Bonds2

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

5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole (PubChem CID 110203262) has the molecular formula C10H9F2N5O and a molecular weight of 253.21 g/mol. Its IUPAC name is 5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole
PubChem CID110203262
Molecular FormulaC10H9F2N5O
Molecular Weight253.21 g/mol
Exact Mass253.08
IUPAC Name5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole
SMILESFC1(F)CN[C@H](c2nc(-c3ncccn3)no2)C1
InChIInChI=1S/C10H9F2N5O/c11-10(12)4-6(15-5-10)9-16-8(17-18-9)7-13-2-1-3-14-7/h1-3,6,15H,4-5H2/t6-/m0/s1
InChIKeyPIEZCXPUNOZFPZ-LURJTMIESA-N
XLogP1.20
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole (CID 110203262) is 5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole is FC1(F)CN[C@H](c2nc(-c3ncccn3)no2)C1.
What is the InChIKey of 5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole?
The InChIKey is PIEZCXPUNOZFPZ-LURJTMIESA-N. The full InChI is InChI=1S/C10H9F2N5O/c11-10(12)4-6(15-5-10)9-16-8(17-18-9)7-13-2-1-3-14-7/h1-3,6,15H,4-5H2/t6-/m0/s1.
What are the key properties of 5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole?
5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole has a molecular weight of 253.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 110203262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).