tert-butyl 4-[(1,2-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylate

C15H23N3O4 — CID 2738834

IUPACtert-butyl 4-[(1,2-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccno2)CC1
InChIInChI=1S/C15H23N3O4/c1-15(2,3)21-14(20)18-8-5-11(6-9-18)10-16-13(19)12-4-7-17-22-12/h4,7,11H,5-6,8-10H2,1-3H3,(H,16,19)
InChIKeyYCHYQMGNVZAIBE-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.05
Rot. Bonds3

About tert-butyl 4-[(1,2-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylate

tert-butyl 4-[(1,2-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylate (PubChem CID 2738834) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is tert-butyl 4-[(1,2-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1,2-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylate
PubChem CID2738834
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Nametert-butyl 4-[(1,2-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccno2)CC1
InChIInChI=1S/C15H23N3O4/c1-15(2,3)21-14(20)18-8-5-11(6-9-18)10-16-13(19)12-4-7-17-22-12/h4,7,11H,5-6,8-10H2,1-3H3,(H,16,19)
InChIKeyYCHYQMGNVZAIBE-UHFFFAOYSA-N
XLogP2.05
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1,2-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1,2-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylate (CID 2738834) is tert-butyl 4-[(1,2-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1,2-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1,2-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccno2)CC1.
What is the InChIKey of tert-butyl 4-[(1,2-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylate?
The InChIKey is YCHYQMGNVZAIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-15(2,3)21-14(20)18-8-5-11(6-9-18)10-16-13(19)12-4-7-17-22-12/h4,7,11H,5-6,8-10H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl 4-[(1,2-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylate?
tert-butyl 4-[(1,2-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1,2-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 2738834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).