tert-butyl (3R)-3-[6-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyrimidin-5-yl]piperidine-1-carboxylate

C20H25N5O3 — CID 125434626

IUPACtert-butyl (3R)-3-[6-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyrimidin-5-yl]piperidine-1-carboxylate
SMILESCc1cc(-c2cnc3nccn3c2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)on1
InChIInChI=1S/C20H25N5O3/c1-13-10-16(28-23-13)15-11-22-18-21-7-9-25(18)17(15)14-6-5-8-24(12-14)19(26)27-20(2,3)4/h7,9-11,14H,5-6,8,12H2,1-4H3/t14-/m1/s1
InChIKeyQFAHJBVHFCJOBU-CQSZACIVSA-N
MW383.45 g/mol
LogP3.81
Rot. Bonds2

About tert-butyl (3R)-3-[6-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyrimidin-5-yl]piperidine-1-carboxylate

tert-butyl (3R)-3-[6-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyrimidin-5-yl]piperidine-1-carboxylate (PubChem CID 125434626) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is tert-butyl (3R)-3-[6-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyrimidin-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[6-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyrimidin-5-yl]piperidine-1-carboxylate
PubChem CID125434626
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Nametert-butyl (3R)-3-[6-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyrimidin-5-yl]piperidine-1-carboxylate
SMILESCc1cc(-c2cnc3nccn3c2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)on1
InChIInChI=1S/C20H25N5O3/c1-13-10-16(28-23-13)15-11-22-18-21-7-9-25(18)17(15)14-6-5-8-24(12-14)19(26)27-20(2,3)4/h7,9-11,14H,5-6,8,12H2,1-4H3/t14-/m1/s1
InChIKeyQFAHJBVHFCJOBU-CQSZACIVSA-N
XLogP3.81
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl (3R)-3-[6-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyrimidin-5-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate
CID 110219988
tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate
CID 135135280
cyclohexyl-[3-[2-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
CID 110223317
tert-butyl 3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 118472590
2,2-dimethyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 51584557
tert-butyl (3R)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 142415547
tert-butyl (3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 142415489
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 66618445
tert-butyl 3-[3-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 66618105
tert-butyl (3R)-3-[(E)-3-(dimethylamino)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enoyl]piperidine-1-carboxylate
CID 86334354
tert-butyl (4R)-4-(1,3-oxazol-2-yl)azepane-1-carboxylate
CID 170903655

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[6-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyrimidin-5-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[6-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyrimidin-5-yl]piperidine-1-carboxylate (CID 125434626) is tert-butyl (3R)-3-[6-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyrimidin-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[6-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyrimidin-5-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[6-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyrimidin-5-yl]piperidine-1-carboxylate is Cc1cc(-c2cnc3nccn3c2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)on1.
What is the InChIKey of tert-butyl (3R)-3-[6-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyrimidin-5-yl]piperidine-1-carboxylate?
The InChIKey is QFAHJBVHFCJOBU-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-13-10-16(28-23-13)15-11-22-18-21-7-9-25(18)17(15)14-6-5-8-24(12-14)19(26)27-20(2,3)4/h7,9-11,14H,5-6,8,12H2,1-4H3/t14-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[6-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyrimidin-5-yl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[6-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyrimidin-5-yl]piperidine-1-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[6-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyrimidin-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 125434626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).