methyl 4-methoxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate

C12H16N2O5 — CID 86264525

IUPACmethyl 4-methoxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(OC)CN1C(=O)c1cc(C)on1
InChIInChI=1S/C12H16N2O5/c1-7-4-9(13-19-7)11(15)14-6-8(17-2)5-10(14)12(16)18-3/h4,8,10H,5-6H2,1-3H3
InChIKeyOOPDVEFMOBLGDL-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.39
Rot. Bonds3

About methyl 4-methoxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate

methyl 4-methoxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 86264525) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is methyl 4-methoxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate
PubChem CID86264525
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Namemethyl 4-methoxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(OC)CN1C(=O)c1cc(C)on1
InChIInChI=1S/C12H16N2O5/c1-7-4-9(13-19-7)11(15)14-6-8(17-2)5-10(14)12(16)18-3/h4,8,10H,5-6H2,1-3H3
InChIKeyOOPDVEFMOBLGDL-UHFFFAOYSA-N
XLogP0.39
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-methoxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate (CID 86264525) is methyl 4-methoxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CC(OC)CN1C(=O)c1cc(C)on1.
What is the InChIKey of methyl 4-methoxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is OOPDVEFMOBLGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-7-4-9(13-19-7)11(15)14-6-8(17-2)5-10(14)12(16)18-3/h4,8,10H,5-6H2,1-3H3.
What are the key properties of methyl 4-methoxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate?
methyl 4-methoxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 268.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 86264525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).