5-[(2-acetylnaphthalen-1-yl)oxymethyl]-1,3-oxazolidin-2-one

C16H15NO4 — CID 43388559

IUPAC5-[(2-acetylnaphthalen-1-yl)oxymethyl]-1,3-oxazolidin-2-one
SMILESCC(=O)c1ccc2ccccc2c1OCC1CNC(=O)O1
InChIInChI=1S/C16H15NO4/c1-10(18)13-7-6-11-4-2-3-5-14(11)15(13)20-9-12-8-17-16(19)21-12/h2-7,12H,8-9H2,1H3,(H,17,19)
InChIKeyVMUZYZQHEBNSCO-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.53
Rot. Bonds4

About 5-[(2-acetylnaphthalen-1-yl)oxymethyl]-1,3-oxazolidin-2-one

5-[(2-acetylnaphthalen-1-yl)oxymethyl]-1,3-oxazolidin-2-one (PubChem CID 43388559) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-[(2-acetylnaphthalen-1-yl)oxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(2-acetylnaphthalen-1-yl)oxymethyl]-1,3-oxazolidin-2-one
PubChem CID43388559
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name5-[(2-acetylnaphthalen-1-yl)oxymethyl]-1,3-oxazolidin-2-one
SMILESCC(=O)c1ccc2ccccc2c1OCC1CNC(=O)O1
InChIInChI=1S/C16H15NO4/c1-10(18)13-7-6-11-4-2-3-5-14(11)15(13)20-9-12-8-17-16(19)21-12/h2-7,12H,8-9H2,1H3,(H,17,19)
InChIKeyVMUZYZQHEBNSCO-UHFFFAOYSA-N
XLogP2.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-acetylnaphthalen-1-yl)oxymethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(2-acetylnaphthalen-1-yl)oxymethyl]-1,3-oxazolidin-2-one (CID 43388559) is 5-[(2-acetylnaphthalen-1-yl)oxymethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(2-acetylnaphthalen-1-yl)oxymethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(2-acetylnaphthalen-1-yl)oxymethyl]-1,3-oxazolidin-2-one is CC(=O)c1ccc2ccccc2c1OCC1CNC(=O)O1.
What is the InChIKey of 5-[(2-acetylnaphthalen-1-yl)oxymethyl]-1,3-oxazolidin-2-one?
The InChIKey is VMUZYZQHEBNSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10(18)13-7-6-11-4-2-3-5-14(11)15(13)20-9-12-8-17-16(19)21-12/h2-7,12H,8-9H2,1H3,(H,17,19).
What are the key properties of 5-[(2-acetylnaphthalen-1-yl)oxymethyl]-1,3-oxazolidin-2-one?
5-[(2-acetylnaphthalen-1-yl)oxymethyl]-1,3-oxazolidin-2-one has a molecular weight of 285.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-acetylnaphthalen-1-yl)oxymethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 43388559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).