5-[(4-tert-butyl-2-oxopyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid

C13H18N2O4 — CID 112753446

IUPAC5-[(4-tert-butyl-2-oxopyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid
SMILESCC(C)(C)C1CC(=O)N(Cc2oncc2C(=O)O)C1
InChIInChI=1S/C13H18N2O4/c1-13(2,3)8-4-11(16)15(6-8)7-10-9(12(17)18)5-14-19-10/h5,8H,4,6-7H2,1-3H3,(H,17,18)
InChIKeyYGXKPGIZSRMRDH-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.77
Rot. Bonds3

About 5-[(4-tert-butyl-2-oxopyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid

5-[(4-tert-butyl-2-oxopyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 112753446) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[(4-tert-butyl-2-oxopyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-tert-butyl-2-oxopyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid
PubChem CID112753446
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-[(4-tert-butyl-2-oxopyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid
SMILESCC(C)(C)C1CC(=O)N(Cc2oncc2C(=O)O)C1
InChIInChI=1S/C13H18N2O4/c1-13(2,3)8-4-11(16)15(6-8)7-10-9(12(17)18)5-14-19-10/h5,8H,4,6-7H2,1-3H3,(H,17,18)
InChIKeyYGXKPGIZSRMRDH-UHFFFAOYSA-N
XLogP1.77
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butyl-2-oxopyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[(4-tert-butyl-2-oxopyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid (CID 112753446) is 5-[(4-tert-butyl-2-oxopyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4-tert-butyl-2-oxopyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[(4-tert-butyl-2-oxopyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid is CC(C)(C)C1CC(=O)N(Cc2oncc2C(=O)O)C1.
What is the InChIKey of 5-[(4-tert-butyl-2-oxopyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is YGXKPGIZSRMRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-13(2,3)8-4-11(16)15(6-8)7-10-9(12(17)18)5-14-19-10/h5,8H,4,6-7H2,1-3H3,(H,17,18).
What are the key properties of 5-[(4-tert-butyl-2-oxopyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid?
5-[(4-tert-butyl-2-oxopyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butyl-2-oxopyrrolidin-1-yl)methyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 112753446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).