4-methyl-1,3-oxazolidine

C4H9NO — CID 544729

IUPAC4-methyl-1,3-oxazolidine
SMILESCC1COCN1
InChIInChI=1S/C4H9NO/c1-4-2-6-3-5-4/h4-5H,2-3H2,1H3
InChIKeyOOTBVTALXQHTHX-UHFFFAOYSA-N
MW87.12 g/mol
LogP-0.05
Rot. Bonds

About 4-methyl-1,3-oxazolidine

4-methyl-1,3-oxazolidine (PubChem CID 544729) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is 4-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name4-methyl-1,3-oxazolidine
PubChem CID544729
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name4-methyl-1,3-oxazolidine
SMILESCC1COCN1
InChIInChI=1S/C4H9NO/c1-4-2-6-3-5-4/h4-5H,2-3H2,1H3
InChIKeyOOTBVTALXQHTHX-UHFFFAOYSA-N
XLogP-0.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1,3-oxazolidine 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 4-methyl-1,3-oxazolidine?
The IUPAC name of 4-methyl-1,3-oxazolidine (CID 544729) is 4-methyl-1,3-oxazolidine.
What is the SMILES notation for 4-methyl-1,3-oxazolidine?
The canonical SMILES for 4-methyl-1,3-oxazolidine is CC1COCN1.
What is the InChIKey of 4-methyl-1,3-oxazolidine?
The InChIKey is OOTBVTALXQHTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-4-2-6-3-5-4/h4-5H,2-3H2,1H3.
What are the key properties of 4-methyl-1,3-oxazolidine?
4-methyl-1,3-oxazolidine has a molecular weight of 87.12 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-oxazolidine is sourced from PubChem (CID 544729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).