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

C18H30N2O3 — CID 155142025

IUPACtert-butyl 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2ncc(C(C)(C)C)o2)CC1
InChIInChI=1S/C18H30N2O3/c1-17(2,3)14-12-19-15(22-14)11-13-7-9-20(10-8-13)16(21)23-18(4,5)6/h12-13H,7-11H2,1-6H3
InChIKeyOVNLZSGRUKODKN-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.16
Rot. Bonds2

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

tert-butyl 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate (PubChem CID 155142025) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate
PubChem CID155142025
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2ncc(C(C)(C)C)o2)CC1
InChIInChI=1S/C18H30N2O3/c1-17(2,3)14-12-19-15(22-14)11-13-7-9-20(10-8-13)16(21)23-18(4,5)6/h12-13H,7-11H2,1-6H3
InChIKeyOVNLZSGRUKODKN-UHFFFAOYSA-N
XLogP4.16
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate (CID 155142025) is tert-butyl 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(C)(C)C)o2)CC1.
What is the InChIKey of tert-butyl 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate?
The InChIKey is OVNLZSGRUKODKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-17(2,3)14-12-19-15(22-14)11-13-7-9-20(10-8-13)16(21)23-18(4,5)6/h12-13H,7-11H2,1-6H3.
What are the key properties of tert-butyl 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate?
tert-butyl 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate has a molecular weight of 322.45 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 155142025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).