methyl 4-(methoxymethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate

C10H15NO4 — CID 114371759

IUPACmethyl 4-(methoxymethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate
SMILESCOCc1nc(C(C)C)oc1C(=O)OC
InChIInChI=1S/C10H15NO4/c1-6(2)9-11-7(5-13-3)8(15-9)10(12)14-4/h6H,5H2,1-4H3
InChIKeyLTQMJLWLMHXJLG-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.73
Rot. Bonds4

About methyl 4-(methoxymethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate

methyl 4-(methoxymethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate (PubChem CID 114371759) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is methyl 4-(methoxymethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(methoxymethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate
PubChem CID114371759
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Namemethyl 4-(methoxymethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate
SMILESCOCc1nc(C(C)C)oc1C(=O)OC
InChIInChI=1S/C10H15NO4/c1-6(2)9-11-7(5-13-3)8(15-9)10(12)14-4/h6H,5H2,1-4H3
InChIKeyLTQMJLWLMHXJLG-UHFFFAOYSA-N
XLogP1.73
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethylpentan-3-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114282368
methyl 2-butyl-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 114371711
methyl 2-(2,4-dimethyl-1,3-oxazol-5-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 114371640
methyl 2-(cyclobutylmethyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 103167338
methyl 2-(7-bicyclo[4.1.0]heptanyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 114371958
methyl 2-(3,4-difluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 114371667
methyl 2-(2,5-dimethylphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 114371735
methyl 2-(2,4-dichlorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 114371700
methyl 2-(2,2-dimethylcyclohexyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 107185683
dimethyl 2-(3-methylbutan-2-yl)-1,3-oxazole-4,5-dicarboxylate
CID 102953728
methyl 5-propan-2-yl-1,3,4-oxadiazole-2-carboxylate
CID 112618977
methyl 4-ethyl-2-methyl-1,3-oxazole-5-carboxylate
CID 15093937

Frequently Asked Questions

What is the IUPAC name of methyl 4-(methoxymethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 4-(methoxymethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate (CID 114371759) is methyl 4-(methoxymethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 4-(methoxymethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 4-(methoxymethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate is COCc1nc(C(C)C)oc1C(=O)OC.
What is the InChIKey of methyl 4-(methoxymethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate?
The InChIKey is LTQMJLWLMHXJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-6(2)9-11-7(5-13-3)8(15-9)10(12)14-4/h6H,5H2,1-4H3.
What are the key properties of methyl 4-(methoxymethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate?
methyl 4-(methoxymethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate has a molecular weight of 213.23 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methoxymethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114371759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).