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

C17H26N2O4 — CID 16743430

IUPACtert-butyl 4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCCC(=O)c2ncco2)CC1
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)19-10-7-13(8-11-19)5-4-6-14(20)15-18-9-12-22-15/h9,12-13H,4-8,10-11H2,1-3H3
InChIKeySGTCYQJYLQBIMY-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.67
Rot. Bonds5

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

tert-butyl 4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidine-1-carboxylate (PubChem CID 16743430) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is tert-butyl 4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidine-1-carboxylate
PubChem CID16743430
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Nametert-butyl 4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCCC(=O)c2ncco2)CC1
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)19-10-7-13(8-11-19)5-4-6-14(20)15-18-9-12-22-15/h9,12-13H,4-8,10-11H2,1-3H3
InChIKeySGTCYQJYLQBIMY-UHFFFAOYSA-N
XLogP3.67
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidin-1-yl]pentan-1-one
CID 91051408
tert-butyl 4-[4-hydroxy-4-(1,3-oxazol-2-yl)butyl]piperidine-1-carboxylate
CID 68944924
tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate
CID 131229980
tert-butyl 4-[3-(2-oxo-2-pyrazin-2-ylethoxy)propyl]piperidine-1-carboxylate
CID 71630050
tert-butyl 4-[3-(4,6-dimethylpyrimidin-2-yl)oxypropyl]piperidine-1-carboxylate
CID 71634340
tert-butyl (4R)-4-(1,3-oxazol-2-yl)azepane-1-carboxylate
CID 170903655
tert-butyl 4-(3-bromopropyl)piperidine-1-carboxylate;tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate
CID 160709457
tert-butyl 4-[(4Z)-4-amino-4-hydroxyiminobutyl]piperidine-1-carboxylate
CID 167508378
tert-butyl 2-(1,3-oxazole-2-carbonyl)pyrrolidine-1-carboxylate
CID 175539338
tert-butyl 4-[3-[(1S)-1-pyrazin-2-ylethoxy]propyl]piperidine-1-carboxylate
CID 97176061
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate
CID 174174191

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidine-1-carboxylate (CID 16743430) is tert-butyl 4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCCC(=O)c2ncco2)CC1.
What is the InChIKey of tert-butyl 4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidine-1-carboxylate?
The InChIKey is SGTCYQJYLQBIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-17(2,3)23-16(21)19-10-7-13(8-11-19)5-4-6-14(20)15-18-9-12-22-15/h9,12-13H,4-8,10-11H2,1-3H3.
What are the key properties of tert-butyl 4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidine-1-carboxylate?
tert-butyl 4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidine-1-carboxylate has a molecular weight of 322.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidine-1-carboxylate is sourced from PubChem (CID 16743430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).