3-[5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one

C14H20N4O2 — CID 124940758

IUPAC3-[5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESCC(C)N1CCC[C@H]1c1cnc(N2CCOC2=O)cn1
InChIInChI=1S/C14H20N4O2/c1-10(2)17-5-3-4-12(17)11-8-16-13(9-15-11)18-6-7-20-14(18)19/h8-10,12H,3-7H2,1-2H3/t12-/m0/s1
InChIKeyAIJJMDDWDAXBPX-LBPRGKRZSA-N
MW276.34 g/mol
LogP1.98
Rot. Bonds3

About 3-[5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one

3-[5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 124940758) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one
PubChem CID124940758
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-[5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESCC(C)N1CCC[C@H]1c1cnc(N2CCOC2=O)cn1
InChIInChI=1S/C14H20N4O2/c1-10(2)17-5-3-4-12(17)11-8-16-13(9-15-11)18-6-7-20-14(18)19/h8-10,12H,3-7H2,1-2H3/t12-/m0/s1
InChIKeyAIJJMDDWDAXBPX-LBPRGKRZSA-N
XLogP1.98
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one (CID 124940758) is 3-[5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one is CC(C)N1CCC[C@H]1c1cnc(N2CCOC2=O)cn1.
What is the InChIKey of 3-[5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is AIJJMDDWDAXBPX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(2)17-5-3-4-12(17)11-8-16-13(9-15-11)18-6-7-20-14(18)19/h8-10,12H,3-7H2,1-2H3/t12-/m0/s1.
What are the key properties of 3-[5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
3-[5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 124940758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).