3-[6-(1-methylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one

C12H16N4O2 — CID 110096494

IUPAC3-[6-(1-methylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESCN1CCCC1c1cncc(N2CCOC2=O)n1
InChIInChI=1S/C12H16N4O2/c1-15-4-2-3-10(15)9-7-13-8-11(14-9)16-5-6-18-12(16)17/h7-8,10H,2-6H2,1H3
InChIKeyXYJXYVJXAQDPRO-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.20
Rot. Bonds2

About 3-[6-(1-methylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one

3-[6-(1-methylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 110096494) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-[6-(1-methylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[6-(1-methylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
PubChem CID110096494
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-[6-(1-methylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESCN1CCCC1c1cncc(N2CCOC2=O)n1
InChIInChI=1S/C12H16N4O2/c1-15-4-2-3-10(15)9-7-13-8-11(14-9)16-5-6-18-12(16)17/h7-8,10H,2-6H2,1H3
InChIKeyXYJXYVJXAQDPRO-UHFFFAOYSA-N
XLogP1.20
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-methylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[6-(1-methylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one (CID 110096494) is 3-[6-(1-methylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[6-(1-methylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[6-(1-methylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one is CN1CCCC1c1cncc(N2CCOC2=O)n1.
What is the InChIKey of 3-[6-(1-methylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is XYJXYVJXAQDPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-15-4-2-3-10(15)9-7-13-8-11(14-9)16-5-6-18-12(16)17/h7-8,10H,2-6H2,1H3.
What are the key properties of 3-[6-(1-methylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one?
3-[6-(1-methylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 248.29 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-methylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 110096494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).