5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one

C14H13NO3 — CID 19012505

IUPAC5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1c1ccc2ccccc2c1
InChIInChI=1S/C14H13NO3/c16-9-13-8-15(14(17)18-13)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13,16H,8-9H2
InChIKeyTZHLLMLDKDFTKE-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.16
Rot. Bonds2

About 5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one

5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one (PubChem CID 19012505) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one
PubChem CID19012505
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1c1ccc2ccccc2c1
InChIInChI=1S/C14H13NO3/c16-9-13-8-15(14(17)18-13)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13,16H,8-9H2
InChIKeyTZHLLMLDKDFTKE-UHFFFAOYSA-N
XLogP2.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one (CID 19012505) is 5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one is O=C1OC(CO)CN1c1ccc2ccccc2c1.
What is the InChIKey of 5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one?
The InChIKey is TZHLLMLDKDFTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-9-13-8-15(14(17)18-13)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13,16H,8-9H2.
What are the key properties of 5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one?
5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one has a molecular weight of 243.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 19012505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).