methyl 2-[3-(morpholine-4-carbonyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate

C15H21N3O5 — CID 46943789

IUPACmethyl 2-[3-(morpholine-4-carbonyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1c1cc(C(=O)N2CCOCC2)no1
InChIInChI=1S/C15H21N3O5/c1-21-15(20)18-5-3-2-4-12(18)13-10-11(16-23-13)14(19)17-6-8-22-9-7-17/h10,12H,2-9H2,1H3
InChIKeyNZTORBUBHOYQRT-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.44
Rot. Bonds2

About methyl 2-[3-(morpholine-4-carbonyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate

methyl 2-[3-(morpholine-4-carbonyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate (PubChem CID 46943789) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 2-[3-(morpholine-4-carbonyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-(morpholine-4-carbonyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate
PubChem CID46943789
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Namemethyl 2-[3-(morpholine-4-carbonyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1c1cc(C(=O)N2CCOCC2)no1
InChIInChI=1S/C15H21N3O5/c1-21-15(20)18-5-3-2-4-12(18)13-10-11(16-23-13)14(19)17-6-8-22-9-7-17/h10,12H,2-9H2,1H3
InChIKeyNZTORBUBHOYQRT-UHFFFAOYSA-N
XLogP1.44
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(morpholine-4-carbonyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate?
The IUPAC name of methyl 2-[3-(morpholine-4-carbonyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate (CID 46943789) is methyl 2-[3-(morpholine-4-carbonyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-[3-(morpholine-4-carbonyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for methyl 2-[3-(morpholine-4-carbonyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate is COC(=O)N1CCCCC1c1cc(C(=O)N2CCOCC2)no1.
What is the InChIKey of methyl 2-[3-(morpholine-4-carbonyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate?
The InChIKey is NZTORBUBHOYQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-21-15(20)18-5-3-2-4-12(18)13-10-11(16-23-13)14(19)17-6-8-22-9-7-17/h10,12H,2-9H2,1H3.
What are the key properties of methyl 2-[3-(morpholine-4-carbonyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate?
methyl 2-[3-(morpholine-4-carbonyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(morpholine-4-carbonyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 46943789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).