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

C13H20N2O3 — CID 131229980

IUPACtert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ncco2)CC1
InChIInChI=1S/C13H20N2O3/c1-13(2,3)18-12(16)15-7-4-10(5-8-15)11-14-6-9-17-11/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyNFSZKZJIZHPYJV-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.79
Rot. Bonds1

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

tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate (PubChem CID 131229980) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate
PubChem CID131229980
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nametert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ncco2)CC1
InChIInChI=1S/C13H20N2O3/c1-13(2,3)18-12(16)15-7-4-10(5-8-15)11-14-6-9-17-11/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyNFSZKZJIZHPYJV-UHFFFAOYSA-N
XLogP2.79
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (4R)-4-(1,3-oxazol-2-yl)azepane-1-carboxylate
CID 170903655
tert-butyl (4R)-4-(1,3-oxazol-5-yl)azepane-1-carboxylate
CID 170904619
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate
CID 67460578
tert-butyl 4-[4-(1,3-oxazol-2-yl)-4-oxobutyl]piperidine-1-carboxylate
CID 16743430
tert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
CID 95566122
tert-butyl 3-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 71250559
tert-butyl 4-[2-(hydroxymethyl)-1,3-oxazol-5-yl]piperidine-1-carboxylate
CID 115051908
tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
CID 46839930
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 74788423
tert-butyl 4-[4-hydroxy-4-(1,3-oxazol-2-yl)butyl]piperidine-1-carboxylate
CID 68944924
tert-butyl 4-[5-(2,5-dichloropyrimidin-4-yl)-1,3-oxazol-2-yl]piperidine-1-carboxylate
CID 171661211

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate (CID 131229980) is tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ncco2)CC1.
What is the InChIKey of tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate?
The InChIKey is NFSZKZJIZHPYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,3)18-12(16)15-7-4-10(5-8-15)11-14-6-9-17-11/h6,9-10H,4-5,7-8H2,1-3H3.
What are the key properties of tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 131229980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).