2-amino-1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone

C17H22N4O2 — CID 110129417

IUPAC2-amino-1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
SMILESCc1noc(C)c1-c1cccc(CC2CCN(C(=O)CN)C2)n1
InChIInChI=1S/C17H22N4O2/c1-11-17(12(2)23-20-11)15-5-3-4-14(19-15)8-13-6-7-21(10-13)16(22)9-18/h3-5,13H,6-10,18H2,1-2H3
InChIKeyYFKNNJGUNTZSMI-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.70
Rot. Bonds4

About 2-amino-1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone

2-amino-1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 110129417) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-amino-1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID110129417
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-amino-1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
SMILESCc1noc(C)c1-c1cccc(CC2CCN(C(=O)CN)C2)n1
InChIInChI=1S/C17H22N4O2/c1-11-17(12(2)23-20-11)15-5-3-4-14(19-15)8-13-6-7-21(10-13)16(22)9-18/h3-5,13H,6-10,18H2,1-2H3
InChIKeyYFKNNJGUNTZSMI-UHFFFAOYSA-N
XLogP1.70
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

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
2-amino-1-[(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124990596
[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)-2-pyridinyl]methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110129102
[(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 125017199
3,5-dimethyl-4-[6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole
CID 125009384
3,5-dimethyl-4-[6-[[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]-1,2-oxazole
CID 125001551
[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 124959727
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
[(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 124989034
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 110129263
[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 124941515

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone (CID 110129417) is 2-amino-1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone is Cc1noc(C)c1-c1cccc(CC2CCN(C(=O)CN)C2)n1.
What is the InChIKey of 2-amino-1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is YFKNNJGUNTZSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-17(12(2)23-20-11)15-5-3-4-14(19-15)8-13-6-7-21(10-13)16(22)9-18/h3-5,13H,6-10,18H2,1-2H3.
What are the key properties of 2-amino-1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone?
2-amino-1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 314.39 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110129417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).