4,4-dimethyl-3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one

C13H18N4O2 — CID 125008608

IUPAC4,4-dimethyl-3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1c1cncc([C@@H]2CCCN2)n1
InChIInChI=1S/C13H18N4O2/c1-13(2)8-19-12(18)17(13)11-7-14-6-10(16-11)9-4-3-5-15-9/h6-7,9,15H,3-5,8H2,1-2H3/t9-/m0/s1
InChIKeyUWHTWKKFJKXSME-VIFPVBQESA-N
MW262.31 g/mol
LogP1.64
Rot. Bonds2

About 4,4-dimethyl-3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one

4,4-dimethyl-3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 125008608) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4,4-dimethyl-3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one
PubChem CID125008608
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4,4-dimethyl-3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1c1cncc([C@@H]2CCCN2)n1
InChIInChI=1S/C13H18N4O2/c1-13(2)8-19-12(18)17(13)11-7-14-6-10(16-11)9-4-3-5-15-9/h6-7,9,15H,3-5,8H2,1-2H3/t9-/m0/s1
InChIKeyUWHTWKKFJKXSME-VIFPVBQESA-N
XLogP1.64
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,4-dimethyl-3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-(6-pyrrolidin-2-ylpyrazin-2-yl)-1,8-dioxa-3-azaspiro[4.5]decan-2-one
CID 110098929
3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
CID 124997263
2-(4-methylpiperidin-1-yl)-6-pyrrolidin-2-ylpyrazine
CID 110271302
2-(2-propan-2-ylimidazol-1-yl)-6-[(2S)-pyrrolidin-2-yl]pyrazine
CID 125011223
N-methyl-6-[(2S)-pyrrolidin-2-yl]pyrazin-2-amine
CID 92615120
3,5-dimethyl-4-[6-[(2R)-pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole
CID 124978642
2-(5-methyl-1H-imidazol-2-yl)-6-pyrrolidin-2-ylpyrazine
CID 175662403
2-(difluoromethyl)-6-piperidin-2-ylpyrazine
CID 84679628
2-[(6-pyrrolidin-2-ylpyrazin-2-yl)amino]ethanol
CID 175658497
N-(6-methyl-2-pyridinyl)-6-pyrrolidin-2-ylpyrazin-2-amine
CID 110265712
2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole
CID 82417113
3-[5-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazin-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 124968428

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4,4-dimethyl-3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one (CID 125008608) is 4,4-dimethyl-3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,4-dimethyl-3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4,4-dimethyl-3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one is CC1(C)COC(=O)N1c1cncc([C@@H]2CCCN2)n1.
What is the InChIKey of 4,4-dimethyl-3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is UWHTWKKFJKXSME-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N4O2/c1-13(2)8-19-12(18)17(13)11-7-14-6-10(16-11)9-4-3-5-15-9/h6-7,9,15H,3-5,8H2,1-2H3/t9-/m0/s1.
What are the key properties of 4,4-dimethyl-3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one?
4,4-dimethyl-3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 125008608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).