ethyl 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,2-oxazole-3-carboxylate

C14H21NO5 — CID 11822133

IUPACethyl 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(C)c1C1(C)OCC(C)(C)CO1
InChIInChI=1S/C14H21NO5/c1-6-17-12(16)11-10(9(2)20-15-11)14(5)18-7-13(3,4)8-19-14/h6-8H2,1-5H3
InChIKeyDSJBHKDMJMLYPR-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.41
Rot. Bonds3

About ethyl 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,2-oxazole-3-carboxylate

ethyl 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,2-oxazole-3-carboxylate (PubChem CID 11822133) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is ethyl 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,2-oxazole-3-carboxylate
PubChem CID11822133
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Nameethyl 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(C)c1C1(C)OCC(C)(C)CO1
InChIInChI=1S/C14H21NO5/c1-6-17-12(16)11-10(9(2)20-15-11)14(5)18-7-13(3,4)8-19-14/h6-8H2,1-5H3
InChIKeyDSJBHKDMJMLYPR-UHFFFAOYSA-N
XLogP2.41
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,2-oxazole-3-carboxylate (CID 11822133) is ethyl 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1noc(C)c1C1(C)OCC(C)(C)CO1.
What is the InChIKey of ethyl 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,2-oxazole-3-carboxylate?
The InChIKey is DSJBHKDMJMLYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-6-17-12(16)11-10(9(2)20-15-11)14(5)18-7-13(3,4)8-19-14/h6-8H2,1-5H3.
What are the key properties of ethyl 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,2-oxazole-3-carboxylate?
ethyl 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,2-oxazole-3-carboxylate has a molecular weight of 283.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 11822133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).