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

C14H24N2O5 — CID 19071071

IUPACtert-butyl 4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CC(CO)OC2=O)CC1
InChIInChI=1S/C14H24N2O5/c1-14(2,3)21-12(18)15-6-4-10(5-7-15)16-8-11(9-17)20-13(16)19/h10-11,17H,4-9H2,1-3H3
InChIKeyDKPAJZKGQLWDLH-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.20
Rot. Bonds2

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

tert-butyl 4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate (PubChem CID 19071071) has the molecular formula C14H24N2O5 and a molecular weight of 300.35 g/mol. Its IUPAC name is tert-butyl 4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate
PubChem CID19071071
Molecular FormulaC14H24N2O5
Molecular Weight300.35 g/mol
Exact Mass300.17
IUPAC Nametert-butyl 4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CC(CO)OC2=O)CC1
InChIInChI=1S/C14H24N2O5/c1-14(2,3)21-12(18)15-6-4-10(5-7-15)16-8-11(9-17)20-13(16)19/h10-11,17H,4-9H2,1-3H3
InChIKeyDKPAJZKGQLWDLH-UHFFFAOYSA-N
XLogP1.20
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate (CID 19071071) is tert-butyl 4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2CC(CO)OC2=O)CC1.
What is the InChIKey of tert-butyl 4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate?
The InChIKey is DKPAJZKGQLWDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-14(2,3)21-12(18)15-6-4-10(5-7-15)16-8-11(9-17)20-13(16)19/h10-11,17H,4-9H2,1-3H3.
What are the key properties of tert-butyl 4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate has a molecular weight of 300.35 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 19071071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).