2,2-dimethyl-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one

C13H20N2O2 — CID 22586635

IUPAC2,2-dimethyl-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1cc(C2CCCN2C(=O)C(C)(C)C)no1
InChIInChI=1S/C13H20N2O2/c1-9-8-10(14-17-9)11-6-5-7-15(11)12(16)13(2,3)4/h8,11H,5-7H2,1-4H3
InChIKeyYHILPCPPHPFJIB-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.69
Rot. Bonds1

About 2,2-dimethyl-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one

2,2-dimethyl-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 22586635) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID22586635
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2,2-dimethyl-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1cc(C2CCCN2C(=O)C(C)(C)C)no1
InChIInChI=1S/C13H20N2O2/c1-9-8-10(14-17-9)11-6-5-7-15(11)12(16)13(2,3)4/h8,11H,5-7H2,1-4H3
InChIKeyYHILPCPPHPFJIB-UHFFFAOYSA-N
XLogP2.69
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one 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 2,2-dimethyl-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one (CID 22586635) is 2,2-dimethyl-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one is Cc1cc(C2CCCN2C(=O)C(C)(C)C)no1.
What is the InChIKey of 2,2-dimethyl-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is YHILPCPPHPFJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-8-10(14-17-9)11-6-5-7-15(11)12(16)13(2,3)4/h8,11H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one?
2,2-dimethyl-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 236.31 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 22586635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).