dimethyl 2-[(3-ethoxycyclobutyl)methyl]-1,3-oxazole-4,5-dicarboxylate

C14H19NO6 — CID 103162282

IUPACdimethyl 2-[(3-ethoxycyclobutyl)methyl]-1,3-oxazole-4,5-dicarboxylate
SMILESCCOC1CC(Cc2nc(C(=O)OC)c(C(=O)OC)o2)C1
InChIInChI=1S/C14H19NO6/c1-4-20-9-5-8(6-9)7-10-15-11(13(16)18-2)12(21-10)14(17)19-3/h8-9H,4-7H2,1-3H3
InChIKeyWYWOMSYMMXQCGO-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.61
Rot. Bonds6

About dimethyl 2-[(3-ethoxycyclobutyl)methyl]-1,3-oxazole-4,5-dicarboxylate

dimethyl 2-[(3-ethoxycyclobutyl)methyl]-1,3-oxazole-4,5-dicarboxylate (PubChem CID 103162282) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is dimethyl 2-[(3-ethoxycyclobutyl)methyl]-1,3-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[(3-ethoxycyclobutyl)methyl]-1,3-oxazole-4,5-dicarboxylate
PubChem CID103162282
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Namedimethyl 2-[(3-ethoxycyclobutyl)methyl]-1,3-oxazole-4,5-dicarboxylate
SMILESCCOC1CC(Cc2nc(C(=O)OC)c(C(=O)OC)o2)C1
InChIInChI=1S/C14H19NO6/c1-4-20-9-5-8(6-9)7-10-15-11(13(16)18-2)12(21-10)14(17)19-3/h8-9H,4-7H2,1-3H3
InChIKeyWYWOMSYMMXQCGO-UHFFFAOYSA-N
XLogP1.61
TPSA87.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(3-ethoxycyclobutyl)methyl]-1,3-oxazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 2-[(3-ethoxycyclobutyl)methyl]-1,3-oxazole-4,5-dicarboxylate (CID 103162282) is dimethyl 2-[(3-ethoxycyclobutyl)methyl]-1,3-oxazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-[(3-ethoxycyclobutyl)methyl]-1,3-oxazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2-[(3-ethoxycyclobutyl)methyl]-1,3-oxazole-4,5-dicarboxylate is CCOC1CC(Cc2nc(C(=O)OC)c(C(=O)OC)o2)C1.
What is the InChIKey of dimethyl 2-[(3-ethoxycyclobutyl)methyl]-1,3-oxazole-4,5-dicarboxylate?
The InChIKey is WYWOMSYMMXQCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-4-20-9-5-8(6-9)7-10-15-11(13(16)18-2)12(21-10)14(17)19-3/h8-9H,4-7H2,1-3H3.
What are the key properties of dimethyl 2-[(3-ethoxycyclobutyl)methyl]-1,3-oxazole-4,5-dicarboxylate?
dimethyl 2-[(3-ethoxycyclobutyl)methyl]-1,3-oxazole-4,5-dicarboxylate has a molecular weight of 297.31 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(3-ethoxycyclobutyl)methyl]-1,3-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 103162282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).