(4S)-3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one

C8H14ClNO2 — CID 18658073

IUPAC(4S)-3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@H]1COC(=O)N1CCCCl
InChIInChI=1S/C8H14ClNO2/c1-2-7-6-12-8(11)10(7)5-3-4-9/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyKLOLJHTYCRNPOD-ZETCQYMHSA-N
MW191.66 g/mol
LogP1.85
Rot. Bonds4

About (4S)-3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one

(4S)-3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one (PubChem CID 18658073) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is (4S)-3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one
PubChem CID18658073
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name(4S)-3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@H]1COC(=O)N1CCCCl
InChIInChI=1S/C8H14ClNO2/c1-2-7-6-12-8(11)10(7)5-3-4-9/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyKLOLJHTYCRNPOD-ZETCQYMHSA-N
XLogP1.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one (CID 18658073) is (4S)-3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one is CC[C@H]1COC(=O)N1CCCCl.
What is the InChIKey of (4S)-3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one?
The InChIKey is KLOLJHTYCRNPOD-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14ClNO2/c1-2-7-6-12-8(11)10(7)5-3-4-9/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (4S)-3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one?
(4S)-3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one has a molecular weight of 191.66 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 18658073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).