[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone

C19H26N6O2 — CID 56722722

IUPAC[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone
SMILESC[C@@H]1CC[C@@H](C)N1C(=O)c1coc(CN2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C19H26N6O2/c1-14-4-5-15(2)25(14)18(26)16-13-27-17(22-16)12-23-8-10-24(11-9-23)19-20-6-3-7-21-19/h3,6-7,13-15H,4-5,8-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyIPVDYMCKZIBRTE-HUUCEWRRSA-N
MW370.46 g/mol
LogP1.80
Rot. Bonds4

About [(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone

[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone (PubChem CID 56722722) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is [(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone
PubChem CID56722722
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone
SMILESC[C@@H]1CC[C@@H](C)N1C(=O)c1coc(CN2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C19H26N6O2/c1-14-4-5-15(2)25(14)18(26)16-13-27-17(22-16)12-23-8-10-24(11-9-23)19-20-6-3-7-21-19/h3,6-7,13-15H,4-5,8-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyIPVDYMCKZIBRTE-HUUCEWRRSA-N
XLogP1.80
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone?
The IUPAC name of [(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone (CID 56722722) is [(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone is C[C@@H]1CC[C@@H](C)N1C(=O)c1coc(CN2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of [(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone?
The InChIKey is IPVDYMCKZIBRTE-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-14-4-5-15(2)25(14)18(26)16-13-27-17(22-16)12-23-8-10-24(11-9-23)19-20-6-3-7-21-19/h3,6-7,13-15H,4-5,8-12H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of [(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone?
[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone has a molecular weight of 370.46 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 56722722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).