methyl 3-(3-chloro-1,2-oxazolidin-5-yl)propanoate

C7H12ClNO3 — CID 91824106

IUPACmethyl 3-(3-chloro-1,2-oxazolidin-5-yl)propanoate
SMILESCOC(=O)CCC1CC(Cl)NO1
InChIInChI=1S/C7H12ClNO3/c1-11-7(10)3-2-5-4-6(8)9-12-5/h5-6,9H,2-4H2,1H3
InChIKeyLIDQNNAKNZIQBC-UHFFFAOYSA-N
MW193.63 g/mol
LogP0.80
Rot. Bonds3

About methyl 3-(3-chloro-1,2-oxazolidin-5-yl)propanoate

methyl 3-(3-chloro-1,2-oxazolidin-5-yl)propanoate (PubChem CID 91824106) has the molecular formula C7H12ClNO3 and a molecular weight of 193.63 g/mol. Its IUPAC name is methyl 3-(3-chloro-1,2-oxazolidin-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-chloro-1,2-oxazolidin-5-yl)propanoate
PubChem CID91824106
Molecular FormulaC7H12ClNO3
Molecular Weight193.63 g/mol
Exact Mass193.05
IUPAC Namemethyl 3-(3-chloro-1,2-oxazolidin-5-yl)propanoate
SMILESCOC(=O)CCC1CC(Cl)NO1
InChIInChI=1S/C7H12ClNO3/c1-11-7(10)3-2-5-4-6(8)9-12-5/h5-6,9H,2-4H2,1H3
InChIKeyLIDQNNAKNZIQBC-UHFFFAOYSA-N
XLogP0.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_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 methyl 3-(3-chloro-1,2-oxazolidin-5-yl)propanoate?
The IUPAC name of methyl 3-(3-chloro-1,2-oxazolidin-5-yl)propanoate (CID 91824106) is methyl 3-(3-chloro-1,2-oxazolidin-5-yl)propanoate.
What is the SMILES notation for methyl 3-(3-chloro-1,2-oxazolidin-5-yl)propanoate?
The canonical SMILES for methyl 3-(3-chloro-1,2-oxazolidin-5-yl)propanoate is COC(=O)CCC1CC(Cl)NO1.
What is the InChIKey of methyl 3-(3-chloro-1,2-oxazolidin-5-yl)propanoate?
The InChIKey is LIDQNNAKNZIQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO3/c1-11-7(10)3-2-5-4-6(8)9-12-5/h5-6,9H,2-4H2,1H3.
What are the key properties of methyl 3-(3-chloro-1,2-oxazolidin-5-yl)propanoate?
methyl 3-(3-chloro-1,2-oxazolidin-5-yl)propanoate has a molecular weight of 193.63 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-chloro-1,2-oxazolidin-5-yl)propanoate is sourced from PubChem (CID 91824106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).