ethyl 2-[methyl(pyrrolidin-3-yl)amino]-1,3-oxazole-4-carboxylate

C11H17N3O3 — CID 113377425

IUPACethyl 2-[methyl(pyrrolidin-3-yl)amino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N(C)C2CCNC2)n1
InChIInChI=1S/C11H17N3O3/c1-3-16-10(15)9-7-17-11(13-9)14(2)8-4-5-12-6-8/h7-8,12H,3-6H2,1-2H3
InChIKeyWCEJGWCUWMNEBP-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.65
Rot. Bonds4

About ethyl 2-[methyl(pyrrolidin-3-yl)amino]-1,3-oxazole-4-carboxylate

ethyl 2-[methyl(pyrrolidin-3-yl)amino]-1,3-oxazole-4-carboxylate (PubChem CID 113377425) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl 2-[methyl(pyrrolidin-3-yl)amino]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[methyl(pyrrolidin-3-yl)amino]-1,3-oxazole-4-carboxylate
PubChem CID113377425
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Nameethyl 2-[methyl(pyrrolidin-3-yl)amino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N(C)C2CCNC2)n1
InChIInChI=1S/C11H17N3O3/c1-3-16-10(15)9-7-17-11(13-9)14(2)8-4-5-12-6-8/h7-8,12H,3-6H2,1-2H3
InChIKeyWCEJGWCUWMNEBP-UHFFFAOYSA-N
XLogP0.65
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[methyl-(4-oxocyclohexyl)amino]-1,3-oxazole-4-carboxylate
CID 113377055
ethyl 2-[ethyl(2-ethylbutyl)amino]-1,3-oxazole-4-carboxylate
CID 113377169
ethyl 2-[bis(thiophen-2-ylmethyl)amino]-1,3-oxazole-4-carboxylate
CID 167466268
ethyl 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole-4-carboxylate
CID 58296122
ethyl 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-oxazole-4-carboxylate
CID 113377294
ethyl 2-(2-aminocyclohexyl)oxy-1,3-oxazole-4-carboxylate
CID 113395505
ethyl 2-[(2,3-dimethylcyclopentyl)amino]-1,3-oxazole-4-carboxylate
CID 113377315
ethyl 2-[(2-oxopiperidin-3-yl)amino]-1,3-oxazole-4-carboxylate
CID 113377250
ethyl 2-morpholin-2-yl-1,3-thiazole-4-carboxylate;hydrobromide
CID 146083082
ethyl 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-oxazole-4-carboxylate
CID 113377205
2-methyl-4-[methyl(pyrrolidin-3-yl)amino]benzamide
CID 81279435
ethyl 2-[2-(methylamino)cyclohexyl]oxy-1,3-oxazole-4-carboxylate
CID 102634249

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(pyrrolidin-3-yl)amino]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[methyl(pyrrolidin-3-yl)amino]-1,3-oxazole-4-carboxylate (CID 113377425) is ethyl 2-[methyl(pyrrolidin-3-yl)amino]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[methyl(pyrrolidin-3-yl)amino]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[methyl(pyrrolidin-3-yl)amino]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(N(C)C2CCNC2)n1.
What is the InChIKey of ethyl 2-[methyl(pyrrolidin-3-yl)amino]-1,3-oxazole-4-carboxylate?
The InChIKey is WCEJGWCUWMNEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-16-10(15)9-7-17-11(13-9)14(2)8-4-5-12-6-8/h7-8,12H,3-6H2,1-2H3.
What are the key properties of ethyl 2-[methyl(pyrrolidin-3-yl)amino]-1,3-oxazole-4-carboxylate?
ethyl 2-[methyl(pyrrolidin-3-yl)amino]-1,3-oxazole-4-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(pyrrolidin-3-yl)amino]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 113377425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).