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

C15H24N2O4 — CID 164601672

IUPACtert-butyl 4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2cnc(CO)o2)CC1
InChIInChI=1S/C15H24N2O4/c1-15(2,3)21-14(19)17-6-4-11(5-7-17)8-12-9-16-13(10-18)20-12/h9,11,18H,4-8,10H2,1-3H3
InChIKeyLNPQCFWMKNLTJQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.36
Rot. Bonds3

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

tert-butyl 4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylate (PubChem CID 164601672) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl 4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylate
PubChem CID164601672
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl 4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2cnc(CO)o2)CC1
InChIInChI=1S/C15H24N2O4/c1-15(2,3)21-14(19)17-6-4-11(5-7-17)8-12-9-16-13(10-18)20-12/h9,11,18H,4-8,10H2,1-3H3
InChIKeyLNPQCFWMKNLTJQ-UHFFFAOYSA-N
XLogP2.36
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-2-(1-methylpiperidin-3-yl)-1,3-oxazole;oxalic acid
CID 19018570
(+/-)5-(2-Hydroxymethyl-1,3-oxazol-5-yl)-1-azabicyclo[3.2.1]octane
CID 19809494
tert-Butyl 4-(2-methyloxazol-5-yl)piperidine-1-carboxylate
CID 24229301
(5-Butyl-1,3-oxazol-2-yl)methanol
CID 70112422
4-[(5-Methyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylic acid
CID 117822167
4-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylic acid
CID 146380674
Tert-butyl 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidine-1-carboxylate
CID 155142025
Methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-1,3-oxazole-2-carboxylate
CID 164601817
Tert-butyl 3-{[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl}azetidine-1-carboxylate
CID 166114160
Tert-butyl 4-[(2-methyl-1,3-oxazol-5-yl)methyl]piperidine-1-carboxylate
CID 167417031
2-Tert-butyl-4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylic acid
CID 170781391
(1R)-1-[5-(3,3-dimethylbutyl)-1,3-oxazol-2-yl]-2,2-dimethylpropan-1-ol
CID 172142953

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylate (CID 164601672) is tert-butyl 4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Cc2cnc(CO)o2)CC1.
What is the InChIKey of tert-butyl 4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylate?
The InChIKey is LNPQCFWMKNLTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(2,3)21-14(19)17-6-4-11(5-7-17)8-12-9-16-13(10-18)20-12/h9,11,18H,4-8,10H2,1-3H3.
What are the key properties of tert-butyl 4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-(hydroxymethyl)-1,3-oxazol-5-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 164601672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).