5-(4-chlorobutyl)-3-propan-2-yl-1,3-oxazolidin-2-one

C10H18ClNO2 — CID 19811479

IUPAC5-(4-chlorobutyl)-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1CC(CCCCCl)OC1=O
InChIInChI=1S/C10H18ClNO2/c1-8(2)12-7-9(14-10(12)13)5-3-4-6-11/h8-9H,3-7H2,1-2H3
InChIKeyVRIMLTXMMHVSCL-UHFFFAOYSA-N
MW219.71 g/mol
LogP2.62
Rot. Bonds5

About 5-(4-chlorobutyl)-3-propan-2-yl-1,3-oxazolidin-2-one

5-(4-chlorobutyl)-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 19811479) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 5-(4-chlorobutyl)-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(4-chlorobutyl)-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID19811479
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name5-(4-chlorobutyl)-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1CC(CCCCCl)OC1=O
InChIInChI=1S/C10H18ClNO2/c1-8(2)12-7-9(14-10(12)13)5-3-4-6-11/h8-9H,3-7H2,1-2H3
InChIKeyVRIMLTXMMHVSCL-UHFFFAOYSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(4-chlorobutyl)-3-propan-2-yl-1,3-oxazolidin-2-one 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 5-(4-chlorobutyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(4-chlorobutyl)-3-propan-2-yl-1,3-oxazolidin-2-one (CID 19811479) is 5-(4-chlorobutyl)-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(4-chlorobutyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(4-chlorobutyl)-3-propan-2-yl-1,3-oxazolidin-2-one is CC(C)N1CC(CCCCCl)OC1=O.
What is the InChIKey of 5-(4-chlorobutyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is VRIMLTXMMHVSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-8(2)12-7-9(14-10(12)13)5-3-4-6-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-(4-chlorobutyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
5-(4-chlorobutyl)-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 219.71 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorobutyl)-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 19811479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).