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

C15H20N2O4 — CID 53195307

IUPACmethyl 1-(2-cyclobutyl-5-methyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1nc(C2CCC2)oc1C
InChIInChI=1S/C15H20N2O4/c1-9-12(16-13(21-9)10-5-3-6-10)14(18)17-8-4-7-11(17)15(19)20-2/h10-11H,3-8H2,1-2H3
InChIKeyMHAAKFPICFPOPX-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.03
Rot. Bonds3

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

methyl 1-(2-cyclobutyl-5-methyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 53195307) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 1-(2-cyclobutyl-5-methyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-cyclobutyl-5-methyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylate
PubChem CID53195307
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namemethyl 1-(2-cyclobutyl-5-methyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1nc(C2CCC2)oc1C
InChIInChI=1S/C15H20N2O4/c1-9-12(16-13(21-9)10-5-3-6-10)14(18)17-8-4-7-11(17)15(19)20-2/h10-11H,3-8H2,1-2H3
InChIKeyMHAAKFPICFPOPX-UHFFFAOYSA-N
XLogP2.03
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-cyclobutyl-5-methyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(2-cyclobutyl-5-methyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylate (CID 53195307) is methyl 1-(2-cyclobutyl-5-methyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-cyclobutyl-5-methyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-cyclobutyl-5-methyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1nc(C2CCC2)oc1C.
What is the InChIKey of methyl 1-(2-cyclobutyl-5-methyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is MHAAKFPICFPOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-12(16-13(21-9)10-5-3-6-10)14(18)17-8-4-7-11(17)15(19)20-2/h10-11H,3-8H2,1-2H3.
What are the key properties of methyl 1-(2-cyclobutyl-5-methyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(2-cyclobutyl-5-methyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-cyclobutyl-5-methyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 53195307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).