1-(5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid

C10H12N2O4 — CID 16773715

IUPAC1-(5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1oncc1C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C10H12N2O4/c1-6-7(5-11-16-6)9(13)12-4-2-3-8(12)10(14)15/h5,8H,2-4H2,1H3,(H,14,15)
InChIKeyMYJDBKHRNWERLM-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.67
Rot. Bonds2

About 1-(5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid

1-(5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 16773715) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID16773715
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name1-(5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1oncc1C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C10H12N2O4/c1-6-7(5-11-16-6)9(13)12-4-2-3-8(12)10(14)15/h5,8H,2-4H2,1H3,(H,14,15)
InChIKeyMYJDBKHRNWERLM-UHFFFAOYSA-N
XLogP0.67
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 16773715) is 1-(5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid is Cc1oncc1C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is MYJDBKHRNWERLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6-7(5-11-16-6)9(13)12-4-2-3-8(12)10(14)15/h5,8H,2-4H2,1H3,(H,14,15).
What are the key properties of 1-(5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
1-(5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 16773715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).