tert-butyl 4-(1,3-oxazole-2-carbonyl)piperidine-1-carboxylate

C14H20N2O4 — CID 59581365

IUPACtert-butyl 4-(1,3-oxazole-2-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)c2ncco2)CC1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)16-7-4-10(5-8-16)11(17)12-15-6-9-19-12/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyXOKJWBRMJFHQEZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.50
Rot. Bonds2

About tert-butyl 4-(1,3-oxazole-2-carbonyl)piperidine-1-carboxylate

tert-butyl 4-(1,3-oxazole-2-carbonyl)piperidine-1-carboxylate (PubChem CID 59581365) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is tert-butyl 4-(1,3-oxazole-2-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1,3-oxazole-2-carbonyl)piperidine-1-carboxylate
PubChem CID59581365
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nametert-butyl 4-(1,3-oxazole-2-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)c2ncco2)CC1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)16-7-4-10(5-8-16)11(17)12-15-6-9-19-12/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyXOKJWBRMJFHQEZ-UHFFFAOYSA-N
XLogP2.50
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1,3-oxazole-2-carbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1,3-oxazole-2-carbonyl)piperidine-1-carboxylate (CID 59581365) is tert-butyl 4-(1,3-oxazole-2-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1,3-oxazole-2-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1,3-oxazole-2-carbonyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)c2ncco2)CC1.
What is the InChIKey of tert-butyl 4-(1,3-oxazole-2-carbonyl)piperidine-1-carboxylate?
The InChIKey is XOKJWBRMJFHQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)16-7-4-10(5-8-16)11(17)12-15-6-9-19-12/h6,9-10H,4-5,7-8H2,1-3H3.
What are the key properties of tert-butyl 4-(1,3-oxazole-2-carbonyl)piperidine-1-carboxylate?
tert-butyl 4-(1,3-oxazole-2-carbonyl)piperidine-1-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1,3-oxazole-2-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 59581365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).