5-methyl-1,3-oxazolidine-3-carbonyl chloride

C5H8ClNO2 — CID 45081291

IUPAC5-methyl-1,3-oxazolidine-3-carbonyl chloride
SMILESCC1CN(C(=O)Cl)CO1
InChIInChI=1S/C5H8ClNO2/c1-4-2-7(3-9-4)5(6)8/h4H,2-3H2,1H3
InChIKeyFOJYUUZLEVIJOY-UHFFFAOYSA-N
MW149.58 g/mol
LogP1.02
Rot. Bonds

About 5-methyl-1,3-oxazolidine-3-carbonyl chloride

5-methyl-1,3-oxazolidine-3-carbonyl chloride (PubChem CID 45081291) has the molecular formula C5H8ClNO2 and a molecular weight of 149.58 g/mol. Its IUPAC name is 5-methyl-1,3-oxazolidine-3-carbonyl chloride.

Molecular Properties

Compound Name5-methyl-1,3-oxazolidine-3-carbonyl chloride
PubChem CID45081291
Molecular FormulaC5H8ClNO2
Molecular Weight149.58 g/mol
Exact Mass149.02
IUPAC Name5-methyl-1,3-oxazolidine-3-carbonyl chloride
SMILESCC1CN(C(=O)Cl)CO1
InChIInChI=1S/C5H8ClNO2/c1-4-2-7(3-9-4)5(6)8/h4H,2-3H2,1H3
InChIKeyFOJYUUZLEVIJOY-UHFFFAOYSA-N
XLogP1.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-oxazolidine-3-carbonyl chloride?
The IUPAC name of 5-methyl-1,3-oxazolidine-3-carbonyl chloride (CID 45081291) is 5-methyl-1,3-oxazolidine-3-carbonyl chloride.
What is the SMILES notation for 5-methyl-1,3-oxazolidine-3-carbonyl chloride?
The canonical SMILES for 5-methyl-1,3-oxazolidine-3-carbonyl chloride is CC1CN(C(=O)Cl)CO1.
What is the InChIKey of 5-methyl-1,3-oxazolidine-3-carbonyl chloride?
The InChIKey is FOJYUUZLEVIJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClNO2/c1-4-2-7(3-9-4)5(6)8/h4H,2-3H2,1H3.
What are the key properties of 5-methyl-1,3-oxazolidine-3-carbonyl chloride?
5-methyl-1,3-oxazolidine-3-carbonyl chloride has a molecular weight of 149.58 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-oxazolidine-3-carbonyl chloride is sourced from PubChem (CID 45081291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).