methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate

C10H14N2O3 — CID 117275232

IUPACmethyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1ncoc1C1CCNCC1
InChIInChI=1S/C10H14N2O3/c1-14-10(13)8-9(15-6-12-8)7-2-4-11-5-3-7/h6-7,11H,2-5H2,1H3
InChIKeyVXSGYCWOXVIHOQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.93
Rot. Bonds2

About methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate

methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate (PubChem CID 117275232) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate
PubChem CID117275232
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namemethyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1ncoc1C1CCNCC1
InChIInChI=1S/C10H14N2O3/c1-14-10(13)8-9(15-6-12-8)7-2-4-11-5-3-7/h6-7,11H,2-5H2,1H3
InChIKeyVXSGYCWOXVIHOQ-UHFFFAOYSA-N
XLogP0.93
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate (CID 117275232) is methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate is COC(=O)c1ncoc1C1CCNCC1.
What is the InChIKey of methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate?
The InChIKey is VXSGYCWOXVIHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-14-10(13)8-9(15-6-12-8)7-2-4-11-5-3-7/h6-7,11H,2-5H2,1H3.
What are the key properties of methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate?
methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-piperidin-4-yl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 117275232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).