methyl 2-(pyrrolidin-2-ylmethyl)-1,3-oxazole-4-carboxylate

C10H14N2O3 — CID 105463941

IUPACmethyl 2-(pyrrolidin-2-ylmethyl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CC2CCCN2)n1
InChIInChI=1S/C10H14N2O3/c1-14-10(13)8-6-15-9(12-8)5-7-3-2-4-11-7/h6-7,11H,2-5H2,1H3
InChIKeyXDHTWMVIGBSUPL-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.76
Rot. Bonds3

About methyl 2-(pyrrolidin-2-ylmethyl)-1,3-oxazole-4-carboxylate

methyl 2-(pyrrolidin-2-ylmethyl)-1,3-oxazole-4-carboxylate (PubChem CID 105463941) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 2-(pyrrolidin-2-ylmethyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(pyrrolidin-2-ylmethyl)-1,3-oxazole-4-carboxylate
PubChem CID105463941
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namemethyl 2-(pyrrolidin-2-ylmethyl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CC2CCCN2)n1
InChIInChI=1S/C10H14N2O3/c1-14-10(13)8-6-15-9(12-8)5-7-3-2-4-11-7/h6-7,11H,2-5H2,1H3
InChIKeyXDHTWMVIGBSUPL-UHFFFAOYSA-N
XLogP0.76
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyrrolidin-2-ylmethyl)-1,3-oxazole-4-carbaldehyde
CID 115083052
methyl 2-(sulfanylmethyl)-1,3-oxazole-4-carboxylate
CID 165481835
methyl 2-[2-(methylamino)propyl]-1,3-oxazole-4-carboxylate
CID 105451384
4-(oxan-4-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
CID 115041557
methyl 2-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117132105
ethane;methyl 2-benzyl-1,3-oxazole-4-carboxylate
CID 91273560
methyl 2-[[cyclobutanecarbonyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 810732
methyl 6-(2-pyrrolidin-2-ylethylamino)pyrazine-2-carboxylate
CID 114794650
methyl 2-[(tert-butylamino)methyl]-1,3-oxazole-4-carboxylate
CID 42656277
methyl 5-(piperidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxylate
CID 105481943
methyl 2-[[cyclopropanecarbonyl(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4539284
4-(oxan-3-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
CID 115041538

Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyrrolidin-2-ylmethyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-(pyrrolidin-2-ylmethyl)-1,3-oxazole-4-carboxylate (CID 105463941) is methyl 2-(pyrrolidin-2-ylmethyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-(pyrrolidin-2-ylmethyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-(pyrrolidin-2-ylmethyl)-1,3-oxazole-4-carboxylate is COC(=O)c1coc(CC2CCCN2)n1.
What is the InChIKey of methyl 2-(pyrrolidin-2-ylmethyl)-1,3-oxazole-4-carboxylate?
The InChIKey is XDHTWMVIGBSUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-14-10(13)8-6-15-9(12-8)5-7-3-2-4-11-7/h6-7,11H,2-5H2,1H3.
What are the key properties of methyl 2-(pyrrolidin-2-ylmethyl)-1,3-oxazole-4-carboxylate?
methyl 2-(pyrrolidin-2-ylmethyl)-1,3-oxazole-4-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyrrolidin-2-ylmethyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 105463941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).