methyl 1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]triazole-4-carboxylate

C14H19N5O3 — CID 86791171

IUPACmethyl 1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]triazole-4-carboxylate
SMILESCOC(=O)c1cn(C2CCN(Cc3ncc(C)o3)CC2)nn1
InChIInChI=1S/C14H19N5O3/c1-10-7-15-13(22-10)9-18-5-3-11(4-6-18)19-8-12(16-17-19)14(20)21-2/h7-8,11H,3-6,9H2,1-2H3
InChIKeyKGYGFTXSLNQWHC-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.20
Rot. Bonds4

About methyl 1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]triazole-4-carboxylate

methyl 1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]triazole-4-carboxylate (PubChem CID 86791171) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is methyl 1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]triazole-4-carboxylate
PubChem CID86791171
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Namemethyl 1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]triazole-4-carboxylate
SMILESCOC(=O)c1cn(C2CCN(Cc3ncc(C)o3)CC2)nn1
InChIInChI=1S/C14H19N5O3/c1-10-7-15-13(22-10)9-18-5-3-11(4-6-18)19-8-12(16-17-19)14(20)21-2/h7-8,11H,3-6,9H2,1-2H3
InChIKeyKGYGFTXSLNQWHC-UHFFFAOYSA-N
XLogP1.20
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]triazole-4-carboxylate?
The IUPAC name of methyl 1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]triazole-4-carboxylate (CID 86791171) is methyl 1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]triazole-4-carboxylate.
What is the SMILES notation for methyl 1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]triazole-4-carboxylate?
The canonical SMILES for methyl 1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]triazole-4-carboxylate is COC(=O)c1cn(C2CCN(Cc3ncc(C)o3)CC2)nn1.
What is the InChIKey of methyl 1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]triazole-4-carboxylate?
The InChIKey is KGYGFTXSLNQWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-10-7-15-13(22-10)9-18-5-3-11(4-6-18)19-8-12(16-17-19)14(20)21-2/h7-8,11H,3-6,9H2,1-2H3.
What are the key properties of methyl 1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]triazole-4-carboxylate?
methyl 1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]triazole-4-carboxylate has a molecular weight of 305.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]triazole-4-carboxylate is sourced from PubChem (CID 86791171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).