methyl 2-[(tert-butylamino)methyl]-1,3-oxazole-4-carboxylate

C10H16N2O3 — CID 42656277

IUPACmethyl 2-[(tert-butylamino)methyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CNC(C)(C)C)n1
InChIInChI=1S/C10H16N2O3/c1-10(2,3)11-5-8-12-7(6-15-8)9(13)14-4/h6,11H,5H2,1-4H3
InChIKeySMUKTLLLOCHFEG-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.35
Rot. Bonds3

About methyl 2-[(tert-butylamino)methyl]-1,3-oxazole-4-carboxylate

methyl 2-[(tert-butylamino)methyl]-1,3-oxazole-4-carboxylate (PubChem CID 42656277) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 2-[(tert-butylamino)methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(tert-butylamino)methyl]-1,3-oxazole-4-carboxylate
PubChem CID42656277
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl 2-[(tert-butylamino)methyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CNC(C)(C)C)n1
InChIInChI=1S/C10H16N2O3/c1-10(2,3)11-5-8-12-7(6-15-8)9(13)14-4/h6,11H,5H2,1-4H3
InChIKeySMUKTLLLOCHFEG-UHFFFAOYSA-N
XLogP1.35
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(tert-butylamino)methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[(tert-butylamino)methyl]-1,3-oxazole-4-carboxylate (CID 42656277) is methyl 2-[(tert-butylamino)methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(tert-butylamino)methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[(tert-butylamino)methyl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc(CNC(C)(C)C)n1.
What is the InChIKey of methyl 2-[(tert-butylamino)methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is SMUKTLLLOCHFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-10(2,3)11-5-8-12-7(6-15-8)9(13)14-4/h6,11H,5H2,1-4H3.
What are the key properties of methyl 2-[(tert-butylamino)methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[(tert-butylamino)methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(tert-butylamino)methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 42656277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).