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

C16H24N2O4 — CID 175805510

IUPACbutyl 4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(C(=O)Cc2cc(C)no2)CC1
InChIInChI=1S/C16H24N2O4/c1-3-4-9-21-16(20)18-7-5-13(6-8-18)15(19)11-14-10-12(2)17-22-14/h10,13H,3-9,11H2,1-2H3
InChIKeyABIOVSNYGGYILE-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.74
Rot. Bonds6

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

butyl 4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidine-1-carboxylate (PubChem CID 175805510) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is butyl 4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidine-1-carboxylate
PubChem CID175805510
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Namebutyl 4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(C(=O)Cc2cc(C)no2)CC1
InChIInChI=1S/C16H24N2O4/c1-3-4-9-21-16(20)18-7-5-13(6-8-18)15(19)11-14-10-12(2)17-22-14/h10,13H,3-9,11H2,1-2H3
InChIKeyABIOVSNYGGYILE-UHFFFAOYSA-N
XLogP2.74
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl 4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidine-1-carboxylate?
The IUPAC name of butyl 4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidine-1-carboxylate (CID 175805510) is butyl 4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidine-1-carboxylate?
The canonical SMILES for butyl 4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidine-1-carboxylate is CCCCOC(=O)N1CCC(C(=O)Cc2cc(C)no2)CC1.
What is the InChIKey of butyl 4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidine-1-carboxylate?
The InChIKey is ABIOVSNYGGYILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-3-4-9-21-16(20)18-7-5-13(6-8-18)15(19)11-14-10-12(2)17-22-14/h10,13H,3-9,11H2,1-2H3.
What are the key properties of butyl 4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidine-1-carboxylate?
butyl 4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidine-1-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidine-1-carboxylate is sourced from PubChem (CID 175805510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).