[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

C18H20N6O2 — CID 110267913

IUPAC[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
SMILESCCc1nccn1-c1cncc(C2CCCN2C(=O)c2coc(C)n2)n1
InChIInChI=1S/C18H20N6O2/c1-3-16-20-6-8-24(16)17-10-19-9-13(22-17)15-5-4-7-23(15)18(25)14-11-26-12(2)21-14/h6,8-11,15H,3-5,7H2,1-2H3
InChIKeyQLVAHFAZQBSUIC-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.50
Rot. Bonds4

About [2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone (PubChem CID 110267913) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is [2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
PubChem CID110267913
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
SMILESCCc1nccn1-c1cncc(C2CCCN2C(=O)c2coc(C)n2)n1
InChIInChI=1S/C18H20N6O2/c1-3-16-20-6-8-24(16)17-10-19-9-13(22-17)15-5-4-7-23(15)18(25)14-11-26-12(2)21-14/h6,8-11,15H,3-5,7H2,1-2H3
InChIKeyQLVAHFAZQBSUIC-UHFFFAOYSA-N
XLogP2.50
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95838332
cyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 110267761
1-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 95838357
1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 95838496
2-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 95838647
1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95815928
[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95839151
2-(1-benzylpyrrolidin-2-yl)-6-(2-ethylimidazol-1-yl)pyrazine
CID 110267837
[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 95838768
2-(2-ethylimidazol-1-yl)-6-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 95838571
2-(2-ethylimidazol-1-yl)-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 95838557
1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110268084

Frequently Asked Questions

What is the IUPAC name of [2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone (CID 110267913) is [2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone is CCc1nccn1-c1cncc(C2CCCN2C(=O)c2coc(C)n2)n1.
What is the InChIKey of [2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The InChIKey is QLVAHFAZQBSUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-3-16-20-6-8-24(16)17-10-19-9-13(22-17)15-5-4-7-23(15)18(25)14-11-26-12(2)21-14/h6,8-11,15H,3-5,7H2,1-2H3.
What are the key properties of [2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone has a molecular weight of 352.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 110267913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).