(4S,5R)-4-(chloromethyl)-5-heptyl-1,3-oxazolidin-2-one

C11H20ClNO2 — CID 101150847

IUPAC(4S,5R)-4-(chloromethyl)-5-heptyl-1,3-oxazolidin-2-one
SMILESCCCCCCC[C@H]1OC(=O)N[C@@H]1CCl
InChIInChI=1S/C11H20ClNO2/c1-2-3-4-5-6-7-10-9(8-12)13-11(14)15-10/h9-10H,2-8H2,1H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyCICPJWBTQHHGAA-NXEZZACHSA-N
MW233.74 g/mol
LogP3.06
Rot. Bonds7

About (4S,5R)-4-(chloromethyl)-5-heptyl-1,3-oxazolidin-2-one

(4S,5R)-4-(chloromethyl)-5-heptyl-1,3-oxazolidin-2-one (PubChem CID 101150847) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is (4S,5R)-4-(chloromethyl)-5-heptyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-(chloromethyl)-5-heptyl-1,3-oxazolidin-2-one
PubChem CID101150847
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name(4S,5R)-4-(chloromethyl)-5-heptyl-1,3-oxazolidin-2-one
SMILESCCCCCCC[C@H]1OC(=O)N[C@@H]1CCl
InChIInChI=1S/C11H20ClNO2/c1-2-3-4-5-6-7-10-9(8-12)13-11(14)15-10/h9-10H,2-8H2,1H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyCICPJWBTQHHGAA-NXEZZACHSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-(chloromethyl)-5-heptyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-(chloromethyl)-5-heptyl-1,3-oxazolidin-2-one (CID 101150847) is (4S,5R)-4-(chloromethyl)-5-heptyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-(chloromethyl)-5-heptyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-(chloromethyl)-5-heptyl-1,3-oxazolidin-2-one is CCCCCCC[C@H]1OC(=O)N[C@@H]1CCl.
What is the InChIKey of (4S,5R)-4-(chloromethyl)-5-heptyl-1,3-oxazolidin-2-one?
The InChIKey is CICPJWBTQHHGAA-NXEZZACHSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-2-3-4-5-6-7-10-9(8-12)13-11(14)15-10/h9-10H,2-8H2,1H3,(H,13,14)/t9-,10-/m1/s1.
What are the key properties of (4S,5R)-4-(chloromethyl)-5-heptyl-1,3-oxazolidin-2-one?
(4S,5R)-4-(chloromethyl)-5-heptyl-1,3-oxazolidin-2-one has a molecular weight of 233.74 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-(chloromethyl)-5-heptyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101150847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).