[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone

C18H18N6O2 — CID 110129583

IUPAC[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone
SMILESCc1noc(C)c1-c1cncc(C2CCCN2C(=O)c2ccnnc2)n1
InChIInChI=1S/C18H18N6O2/c1-11-17(12(2)26-23-11)15-10-19-9-14(22-15)16-4-3-7-24(16)18(25)13-5-6-20-21-8-13/h5-6,8-10,16H,3-4,7H2,1-2H3
InChIKeyXVWNNFCVUCHIPN-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.52
Rot. Bonds3

About [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone

[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone (PubChem CID 110129583) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone
PubChem CID110129583
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone
SMILESCc1noc(C)c1-c1cncc(C2CCCN2C(=O)c2ccnnc2)n1
InChIInChI=1S/C18H18N6O2/c1-11-17(12(2)26-23-11)15-10-19-9-14(22-15)16-4-3-7-24(16)18(25)13-5-6-20-21-8-13/h5-6,8-10,16H,3-4,7H2,1-2H3
InChIKeyXVWNNFCVUCHIPN-UHFFFAOYSA-N
XLogP2.52
TPSA97.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-hydroxyphenyl)methanone
CID 124969712
[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 125002559
(2,6-difluorophenyl)-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 124969371
2-amino-1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110129418
1-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124977166
1-[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 124943238
1-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124996891
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
[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone
CID 110135482
4-[6-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 124964060
[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110135398

Frequently Asked Questions

What is the IUPAC name of [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone (CID 110129583) is [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone is Cc1noc(C)c1-c1cncc(C2CCCN2C(=O)c2ccnnc2)n1.
What is the InChIKey of [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone?
The InChIKey is XVWNNFCVUCHIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-11-17(12(2)26-23-11)15-10-19-9-14(22-15)16-4-3-7-24(16)18(25)13-5-6-20-21-8-13/h5-6,8-10,16H,3-4,7H2,1-2H3.
What are the key properties of [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone?
[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone has a molecular weight of 350.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 110129583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).