3-(2-chloroethyl)-4-(2-oxodecyl)-1,3-oxazolidin-2-one

C15H26ClNO3 — CID 11507750

IUPAC3-(2-chloroethyl)-4-(2-oxodecyl)-1,3-oxazolidin-2-one
SMILESCCCCCCCCC(=O)CC1COC(=O)N1CCCl
InChIInChI=1S/C15H26ClNO3/c1-2-3-4-5-6-7-8-14(18)11-13-12-20-15(19)17(13)10-9-16/h13H,2-12H2,1H3
InChIKeyLCVNPPMFBIVRPY-UHFFFAOYSA-N
MW303.83 g/mol
LogP3.76
Rot. Bonds11

About 3-(2-chloroethyl)-4-(2-oxodecyl)-1,3-oxazolidin-2-one

3-(2-chloroethyl)-4-(2-oxodecyl)-1,3-oxazolidin-2-one (PubChem CID 11507750) has the molecular formula C15H26ClNO3 and a molecular weight of 303.83 g/mol. Its IUPAC name is 3-(2-chloroethyl)-4-(2-oxodecyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-chloroethyl)-4-(2-oxodecyl)-1,3-oxazolidin-2-one
PubChem CID11507750
Molecular FormulaC15H26ClNO3
Molecular Weight303.83 g/mol
Exact Mass303.16
IUPAC Name3-(2-chloroethyl)-4-(2-oxodecyl)-1,3-oxazolidin-2-one
SMILESCCCCCCCCC(=O)CC1COC(=O)N1CCCl
InChIInChI=1S/C15H26ClNO3/c1-2-3-4-5-6-7-8-14(18)11-13-12-20-15(19)17(13)10-9-16/h13H,2-12H2,1H3
InChIKeyLCVNPPMFBIVRPY-UHFFFAOYSA-N
XLogP3.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-didecyl-1,3-oxazolidin-2-one
CID 69088250
(4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one
CID 150010367
4-(2-oxooctyl)oxolan-2-one
CID 10703763
(4R)-4-benzyl-3-octanoyl-1,3-oxazolidin-2-one
CID 10286343
(4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one
CID 71349223
4-methyl-3-pentyl-1,3-oxazolidin-2-one
CID 11378760
1-chlorononan-3-one
CID 11062938
1-chloropentadecan-3-one
CID 162712829
3-(7-methyloctyl)-4-propyl-1,3-oxazolidin-2-one
CID 58234740
1-chloropentacosan-7-one
CID 162712808
12-chlorododecan-6-one
CID 162712835
1-chlorodecan-4-one
CID 65439314

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-4-(2-oxodecyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-chloroethyl)-4-(2-oxodecyl)-1,3-oxazolidin-2-one (CID 11507750) is 3-(2-chloroethyl)-4-(2-oxodecyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-chloroethyl)-4-(2-oxodecyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-chloroethyl)-4-(2-oxodecyl)-1,3-oxazolidin-2-one is CCCCCCCCC(=O)CC1COC(=O)N1CCCl.
What is the InChIKey of 3-(2-chloroethyl)-4-(2-oxodecyl)-1,3-oxazolidin-2-one?
The InChIKey is LCVNPPMFBIVRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO3/c1-2-3-4-5-6-7-8-14(18)11-13-12-20-15(19)17(13)10-9-16/h13H,2-12H2,1H3.
What are the key properties of 3-(2-chloroethyl)-4-(2-oxodecyl)-1,3-oxazolidin-2-one?
3-(2-chloroethyl)-4-(2-oxodecyl)-1,3-oxazolidin-2-one has a molecular weight of 303.83 g/mol, XLogP of 3.76, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-4-(2-oxodecyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11507750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).