tert-butyl 4-[4-methyl-6-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)pyrimidin-2-yl]piperidine-1-carboxylate

C19H28N4O4 — CID 110099207

IUPACtert-butyl 4-[4-methyl-6-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)pyrimidin-2-yl]piperidine-1-carboxylate
SMILESCc1cc(N2CC(C)OC2=O)nc(C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C19H28N4O4/c1-12-10-15(23-11-13(2)26-18(23)25)21-16(20-12)14-6-8-22(9-7-14)17(24)27-19(3,4)5/h10,13-14H,6-9,11H2,1-5H3
InChIKeySYDRHYOIQJHKSA-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.24
Rot. Bonds2

About tert-butyl 4-[4-methyl-6-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)pyrimidin-2-yl]piperidine-1-carboxylate

tert-butyl 4-[4-methyl-6-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)pyrimidin-2-yl]piperidine-1-carboxylate (PubChem CID 110099207) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is tert-butyl 4-[4-methyl-6-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)pyrimidin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-methyl-6-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)pyrimidin-2-yl]piperidine-1-carboxylate
PubChem CID110099207
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Nametert-butyl 4-[4-methyl-6-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)pyrimidin-2-yl]piperidine-1-carboxylate
SMILESCc1cc(N2CC(C)OC2=O)nc(C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C19H28N4O4/c1-12-10-15(23-11-13(2)26-18(23)25)21-16(20-12)14-6-8-22(9-7-14)17(24)27-19(3,4)5/h10,13-14H,6-9,11H2,1-5H3
InChIKeySYDRHYOIQJHKSA-UHFFFAOYSA-N
XLogP3.24
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-methyl-6-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)pyrimidin-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-methyl-6-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)pyrimidin-2-yl]piperidine-1-carboxylate (CID 110099207) is tert-butyl 4-[4-methyl-6-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)pyrimidin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-methyl-6-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)pyrimidin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-methyl-6-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)pyrimidin-2-yl]piperidine-1-carboxylate is Cc1cc(N2CC(C)OC2=O)nc(C2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 4-[4-methyl-6-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)pyrimidin-2-yl]piperidine-1-carboxylate?
The InChIKey is SYDRHYOIQJHKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-12-10-15(23-11-13(2)26-18(23)25)21-16(20-12)14-6-8-22(9-7-14)17(24)27-19(3,4)5/h10,13-14H,6-9,11H2,1-5H3.
What are the key properties of tert-butyl 4-[4-methyl-6-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)pyrimidin-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-methyl-6-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)pyrimidin-2-yl]piperidine-1-carboxylate has a molecular weight of 376.46 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-methyl-6-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)pyrimidin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 110099207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).