1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one

C21H26N6O2 — CID 110129511

IUPAC1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
SMILESCc1noc(C)c1-c1cncc(CC2CCN(C(=O)CCCn3cccn3)C2)n1
InChIInChI=1S/C21H26N6O2/c1-15-21(16(2)29-25-15)19-13-22-12-18(24-19)11-17-6-10-26(14-17)20(28)5-3-8-27-9-4-7-23-27/h4,7,9,12-13,17H,3,5-6,8,10-11,14H2,1-2H3
InChIKeyXYNOTXGJYAVSOJ-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.82
Rot. Bonds7

About 1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one

1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one (PubChem CID 110129511) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
PubChem CID110129511
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
SMILESCc1noc(C)c1-c1cncc(CC2CCN(C(=O)CCCn3cccn3)C2)n1
InChIInChI=1S/C21H26N6O2/c1-15-21(16(2)29-25-15)19-13-22-12-18(24-19)11-17-6-10-26(14-17)20(28)5-3-8-27-9-4-7-23-27/h4,7,9,12-13,17H,3,5-6,8,10-11,14H2,1-2H3
InChIKeyXYNOTXGJYAVSOJ-UHFFFAOYSA-N
XLogP2.82
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one with MolForge

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Related Compounds

1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 110129510
[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 124959727
[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 125003846
2-amino-1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 110129417
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110129102
1-[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124968773
[(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 124989034
2-amino-1-[(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124990596
1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 124961219
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 110129515
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110129347
[(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 125017199

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one?
The IUPAC name of 1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one (CID 110129511) is 1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one.
What is the SMILES notation for 1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one?
The canonical SMILES for 1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one is Cc1noc(C)c1-c1cncc(CC2CCN(C(=O)CCCn3cccn3)C2)n1.
What is the InChIKey of 1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one?
The InChIKey is XYNOTXGJYAVSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-15-21(16(2)29-25-15)19-13-22-12-18(24-19)11-17-6-10-26(14-17)20(28)5-3-8-27-9-4-7-23-27/h4,7,9,12-13,17H,3,5-6,8,10-11,14H2,1-2H3.
What are the key properties of 1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one?
1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one has a molecular weight of 394.48 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one is sourced from PubChem (CID 110129511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).