4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one

C10H18ClNO2 — CID 19612546

IUPAC4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one
SMILESCCC(C)C1COC(=O)N1CCCCl
InChIInChI=1S/C10H18ClNO2/c1-3-8(2)9-7-14-10(13)12(9)6-4-5-11/h8-9H,3-7H2,1-2H3
InChIKeyQPCBUZACAWXVRQ-UHFFFAOYSA-N
MW219.71 g/mol
LogP2.48
Rot. Bonds5

About 4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one

4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one (PubChem CID 19612546) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one
PubChem CID19612546
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one
SMILESCCC(C)C1COC(=O)N1CCCCl
InChIInChI=1S/C10H18ClNO2/c1-3-8(2)9-7-14-10(13)12(9)6-4-5-11/h8-9H,3-7H2,1-2H3
InChIKeyQPCBUZACAWXVRQ-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
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 4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one (CID 19612546) is 4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one is CCC(C)C1COC(=O)N1CCCCl.
What is the InChIKey of 4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one?
The InChIKey is QPCBUZACAWXVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-3-8(2)9-7-14-10(13)12(9)6-4-5-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one?
4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one has a molecular weight of 219.71 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 19612546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).