tert-butyl 2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrolidine-1-carboxylate

C15H23N3O4 — CID 47900570

IUPACtert-butyl 2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrolidine-1-carboxylate
SMILESCc1cc(CNC(=O)C2CCCN2C(=O)OC(C)(C)C)no1
InChIInChI=1S/C15H23N3O4/c1-10-8-11(17-22-10)9-16-13(19)12-6-5-7-18(12)14(20)21-15(2,3)4/h8,12H,5-7,9H2,1-4H3,(H,16,19)
InChIKeyUNTRJGASUISLEN-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.00
Rot. Bonds3

About tert-butyl 2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrolidine-1-carboxylate

tert-butyl 2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrolidine-1-carboxylate (PubChem CID 47900570) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is tert-butyl 2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrolidine-1-carboxylate
PubChem CID47900570
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Nametert-butyl 2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrolidine-1-carboxylate
SMILESCc1cc(CNC(=O)C2CCCN2C(=O)OC(C)(C)C)no1
InChIInChI=1S/C15H23N3O4/c1-10-8-11(17-22-10)9-16-13(19)12-6-5-7-18(12)14(20)21-15(2,3)4/h8,12H,5-7,9H2,1-4H3,(H,16,19)
InChIKeyUNTRJGASUISLEN-UHFFFAOYSA-N
XLogP2.00
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrolidine-1-carboxylate (CID 47900570) is tert-butyl 2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrolidine-1-carboxylate is Cc1cc(CNC(=O)C2CCCN2C(=O)OC(C)(C)C)no1.
What is the InChIKey of tert-butyl 2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is UNTRJGASUISLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-10-8-11(17-22-10)9-16-13(19)12-6-5-7-18(12)14(20)21-15(2,3)4/h8,12H,5-7,9H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl 2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 47900570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).