ethyl 4-methyl-1,3-oxazolidine-4-carboxylate

C7H13NO3 — CID 24975850

IUPACethyl 4-methyl-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1(C)COCN1
InChIInChI=1S/C7H13NO3/c1-3-11-6(9)7(2)4-10-5-8-7/h8H,3-5H2,1-2H3
InChIKeyPTGYCLQAIPZYKX-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.11
Rot. Bonds2

About ethyl 4-methyl-1,3-oxazolidine-4-carboxylate

ethyl 4-methyl-1,3-oxazolidine-4-carboxylate (PubChem CID 24975850) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is ethyl 4-methyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-1,3-oxazolidine-4-carboxylate
PubChem CID24975850
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Nameethyl 4-methyl-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1(C)COCN1
InChIInChI=1S/C7H13NO3/c1-3-11-6(9)7(2)4-10-5-8-7/h8H,3-5H2,1-2H3
InChIKeyPTGYCLQAIPZYKX-UHFFFAOYSA-N
XLogP-0.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-methyl-1,3-oxazolidine-4-carboxylate 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 ethyl 4-methyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of ethyl 4-methyl-1,3-oxazolidine-4-carboxylate (CID 24975850) is ethyl 4-methyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl 4-methyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl 4-methyl-1,3-oxazolidine-4-carboxylate is CCOC(=O)C1(C)COCN1.
What is the InChIKey of ethyl 4-methyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is PTGYCLQAIPZYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-11-6(9)7(2)4-10-5-8-7/h8H,3-5H2,1-2H3.
What are the key properties of ethyl 4-methyl-1,3-oxazolidine-4-carboxylate?
ethyl 4-methyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 159.18 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 24975850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).