[(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone

C20H23N5O2 — CID 125017199

IUPAC[(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCc1noc(C)c1-c1cccc(C[C@H]2CCN(C(=O)c3cn(C)cn3)C2)n1
InChIInChI=1S/C20H23N5O2/c1-13-19(14(2)27-23-13)17-6-4-5-16(22-17)9-15-7-8-25(10-15)20(26)18-11-24(3)12-21-18/h4-6,11-12,15H,7-10H2,1-3H3/t15-/m1/s1
InChIKeyXFRSHOZUZVHIOX-OAHLLOKOSA-N
MW365.44 g/mol
LogP2.79
Rot. Bonds4

About [(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone

[(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone (PubChem CID 125017199) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is [(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
PubChem CID125017199
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name[(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCc1noc(C)c1-c1cccc(C[C@H]2CCN(C(=O)c3cn(C)cn3)C2)n1
InChIInChI=1S/C20H23N5O2/c1-13-19(14(2)27-23-13)17-6-4-5-16(22-17)9-15-7-8-25(10-15)20(26)18-11-24(3)12-21-18/h4-6,11-12,15H,7-10H2,1-3H3/t15-/m1/s1
InChIKeyXFRSHOZUZVHIOX-OAHLLOKOSA-N
XLogP2.79
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

[(3R)-3-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 125014804
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 110129515
[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(1-methylimidazol-4-yl)methanone
CID 110129408
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
[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 125003846
[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 124959727
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110129347
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-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110159037
[(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 124989034

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The IUPAC name of [(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone (CID 125017199) is [(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone is Cc1noc(C)c1-c1cccc(C[C@H]2CCN(C(=O)c3cn(C)cn3)C2)n1.
What is the InChIKey of [(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The InChIKey is XFRSHOZUZVHIOX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-19(14(2)27-23-13)17-6-4-5-16(22-17)9-15-7-8-25(10-15)20(26)18-11-24(3)12-21-18/h4-6,11-12,15H,7-10H2,1-3H3/t15-/m1/s1.
What are the key properties of [(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone?
[(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone has a molecular weight of 365.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 125017199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).