ethenyl 5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

C12H14N2O3 — CID 19018581

IUPACethenyl 5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=COC(=O)N1CCC=C(c2cnc(C)o2)C1
InChIInChI=1S/C12H14N2O3/c1-3-16-12(15)14-6-4-5-10(8-14)11-7-13-9(2)17-11/h3,5,7H,1,4,6,8H2,2H3
InChIKeyWQQSOFIAVAXSLX-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.35
Rot. Bonds2

About ethenyl 5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

ethenyl 5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 19018581) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethenyl 5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethenyl 5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID19018581
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Nameethenyl 5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=COC(=O)N1CCC=C(c2cnc(C)o2)C1
InChIInChI=1S/C12H14N2O3/c1-3-16-12(15)14-6-4-5-10(8-14)11-7-13-9(2)17-11/h3,5,7H,1,4,6,8H2,2H3
InChIKeyWQQSOFIAVAXSLX-UHFFFAOYSA-N
XLogP2.35
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl 5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of ethenyl 5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 19018581) is ethenyl 5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethenyl 5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for ethenyl 5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is C=COC(=O)N1CCC=C(c2cnc(C)o2)C1.
What is the InChIKey of ethenyl 5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is WQQSOFIAVAXSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-16-12(15)14-6-4-5-10(8-14)11-7-13-9(2)17-11/h3,5,7H,1,4,6,8H2,2H3.
What are the key properties of ethenyl 5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
ethenyl 5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 5-(2-methyl-1,3-oxazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 19018581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).