butyl 3-(1,3-oxazolidin-3-yl)propanoate

C10H19NO3 — CID 71328697

IUPACbutyl 3-(1,3-oxazolidin-3-yl)propanoate
SMILESCCCCOC(=O)CCN1CCOC1
InChIInChI=1S/C10H19NO3/c1-2-3-7-14-10(12)4-5-11-6-8-13-9-11/h2-9H2,1H3
InChIKeyLYKCPLQPWJBJLH-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.01
Rot. Bonds6

About butyl 3-(1,3-oxazolidin-3-yl)propanoate

butyl 3-(1,3-oxazolidin-3-yl)propanoate (PubChem CID 71328697) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is butyl 3-(1,3-oxazolidin-3-yl)propanoate.

Molecular Properties

Compound Namebutyl 3-(1,3-oxazolidin-3-yl)propanoate
PubChem CID71328697
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namebutyl 3-(1,3-oxazolidin-3-yl)propanoate
SMILESCCCCOC(=O)CCN1CCOC1
InChIInChI=1S/C10H19NO3/c1-2-3-7-14-10(12)4-5-11-6-8-13-9-11/h2-9H2,1H3
InChIKeyLYKCPLQPWJBJLH-UHFFFAOYSA-N
XLogP1.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl 3-(1,3-oxazolidin-3-yl)propanoate?
The IUPAC name of butyl 3-(1,3-oxazolidin-3-yl)propanoate (CID 71328697) is butyl 3-(1,3-oxazolidin-3-yl)propanoate.
What is the SMILES notation for butyl 3-(1,3-oxazolidin-3-yl)propanoate?
The canonical SMILES for butyl 3-(1,3-oxazolidin-3-yl)propanoate is CCCCOC(=O)CCN1CCOC1.
What is the InChIKey of butyl 3-(1,3-oxazolidin-3-yl)propanoate?
The InChIKey is LYKCPLQPWJBJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-3-7-14-10(12)4-5-11-6-8-13-9-11/h2-9H2,1H3.
What are the key properties of butyl 3-(1,3-oxazolidin-3-yl)propanoate?
butyl 3-(1,3-oxazolidin-3-yl)propanoate has a molecular weight of 201.27 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-(1,3-oxazolidin-3-yl)propanoate is sourced from PubChem (CID 71328697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).