[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrimidin-4-ylmethanone

C14H13F2N5O2 — CID 110203200

IUPAC[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CC(F)(F)C[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C14H13F2N5O2/c15-14(16)5-10(12-19-11(20-23-12)8-1-2-8)21(6-14)13(22)9-3-4-17-7-18-9/h3-4,7-8,10H,1-2,5-6H2/t10-/m0/s1
InChIKeyMTLUYCFIZAVAEP-JTQLQIEISA-N
MW321.29 g/mol
LogP1.96
Rot. Bonds3

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

[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrimidin-4-ylmethanone (PubChem CID 110203200) has the molecular formula C14H13F2N5O2 and a molecular weight of 321.29 g/mol. Its IUPAC name is [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrimidin-4-ylmethanone
PubChem CID110203200
Molecular FormulaC14H13F2N5O2
Molecular Weight321.29 g/mol
Exact Mass321.10
IUPAC Name[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CC(F)(F)C[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C14H13F2N5O2/c15-14(16)5-10(12-19-11(20-23-12)8-1-2-8)21(6-14)13(22)9-3-4-17-7-18-9/h3-4,7-8,10H,1-2,5-6H2/t10-/m0/s1
InChIKeyMTLUYCFIZAVAEP-JTQLQIEISA-N
XLogP1.96
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrimidin-4-ylmethanone (CID 110203200) is [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrimidin-4-ylmethanone is O=C(c1ccncn1)N1CC(F)(F)C[C@H]1c1nc(C2CC2)no1.
What is the InChIKey of [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrimidin-4-ylmethanone?
The InChIKey is MTLUYCFIZAVAEP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13F2N5O2/c15-14(16)5-10(12-19-11(20-23-12)8-1-2-8)21(6-14)13(22)9-3-4-17-7-18-9/h3-4,7-8,10H,1-2,5-6H2/t10-/m0/s1.
What are the key properties of [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrimidin-4-ylmethanone?
[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrimidin-4-ylmethanone has a molecular weight of 321.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 110203200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).