3,5-dimethyl-4-[6-[(2R)-pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole

C13H16N4O — CID 124978642

IUPAC3,5-dimethyl-4-[6-[(2R)-pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cncc([C@H]2CCCN2)n1
InChIInChI=1S/C13H16N4O/c1-8-13(9(2)18-17-8)12-7-14-6-11(16-12)10-4-3-5-15-10/h6-7,10,15H,3-5H2,1-2H3/t10-/m1/s1
InChIKeyLVLFIALBBHLRND-SNVBAGLBSA-N
MW244.30 g/mol
LogP2.17
Rot. Bonds2

About 3,5-dimethyl-4-[6-[(2R)-pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole

3,5-dimethyl-4-[6-[(2R)-pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole (PubChem CID 124978642) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3,5-dimethyl-4-[6-[(2R)-pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[6-[(2R)-pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole
PubChem CID124978642
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3,5-dimethyl-4-[6-[(2R)-pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cncc([C@H]2CCCN2)n1
InChIInChI=1S/C13H16N4O/c1-8-13(9(2)18-17-8)12-7-14-6-11(16-12)10-4-3-5-15-10/h6-7,10,15H,3-5H2,1-2H3/t10-/m1/s1
InChIKeyLVLFIALBBHLRND-SNVBAGLBSA-N
XLogP2.17
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-yl]-1,2-oxazole
CID 124946763
2-(5-methyl-1H-imidazol-2-yl)-6-pyrrolidin-2-ylpyrazine
CID 175662403
N-methyl-6-[(2S)-pyrrolidin-2-yl]pyrazin-2-amine
CID 92615120
2-(4-methylpiperidin-1-yl)-6-pyrrolidin-2-ylpyrazine
CID 110271302
2-[(6-pyrrolidin-2-ylpyrazin-2-yl)amino]ethanol
CID 175658497
1-[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 124943238
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
(2,6-difluorophenyl)-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 124969371
2-(difluoromethyl)-6-piperidin-2-ylpyrazine
CID 84679628
4,4-dimethyl-3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 125008608
1-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124996891

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[6-[(2R)-pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[6-[(2R)-pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole (CID 124978642) is 3,5-dimethyl-4-[6-[(2R)-pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[6-[(2R)-pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[6-[(2R)-pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole is Cc1noc(C)c1-c1cncc([C@H]2CCCN2)n1.
What is the InChIKey of 3,5-dimethyl-4-[6-[(2R)-pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole?
The InChIKey is LVLFIALBBHLRND-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-13(9(2)18-17-8)12-7-14-6-11(16-12)10-4-3-5-15-10/h6-7,10,15H,3-5H2,1-2H3/t10-/m1/s1.
What are the key properties of 3,5-dimethyl-4-[6-[(2R)-pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole?
3,5-dimethyl-4-[6-[(2R)-pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole has a molecular weight of 244.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[6-[(2R)-pyrrolidin-2-yl]pyrazin-2-yl]-1,2-oxazole is sourced from PubChem (CID 124978642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).