ethyl 3-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate

C12H19NO4 — CID 10377037

IUPACethyl 3-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C)noc1COC(C)(C)C
InChIInChI=1S/C12H19NO4/c1-6-15-11(14)10-8(2)13-17-9(10)7-16-12(3,4)5/h6-7H2,1-5H3
InChIKeyBKVLAROVTKBGFF-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.47
Rot. Bonds4

About ethyl 3-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate

ethyl 3-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate (PubChem CID 10377037) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is ethyl 3-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate
PubChem CID10377037
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Nameethyl 3-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C)noc1COC(C)(C)C
InChIInChI=1S/C12H19NO4/c1-6-15-11(14)10-8(2)13-17-9(10)7-16-12(3,4)5/h6-7H2,1-5H3
InChIKeyBKVLAROVTKBGFF-UHFFFAOYSA-N
XLogP2.47
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate (CID 10377037) is ethyl 3-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(C)noc1COC(C)(C)C.
What is the InChIKey of ethyl 3-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate?
The InChIKey is BKVLAROVTKBGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-6-15-11(14)10-8(2)13-17-9(10)7-16-12(3,4)5/h6-7H2,1-5H3.
What are the key properties of ethyl 3-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate?
ethyl 3-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 10377037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).