methyl 2-naphthalen-1-yl-5-oxo-1,3-oxazolidine-3-carboxylate

C15H13NO4 — CID 593614

IUPACmethyl 2-naphthalen-1-yl-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)N1CC(=O)OC1c1cccc2ccccc12
InChIInChI=1S/C15H13NO4/c1-19-15(18)16-9-13(17)20-14(16)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,14H,9H2,1H3
InChIKeyQUYVKYBTNPJTQK-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.46
Rot. Bonds1

About methyl 2-naphthalen-1-yl-5-oxo-1,3-oxazolidine-3-carboxylate

methyl 2-naphthalen-1-yl-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 593614) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is methyl 2-naphthalen-1-yl-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-naphthalen-1-yl-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID593614
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Namemethyl 2-naphthalen-1-yl-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)N1CC(=O)OC1c1cccc2ccccc12
InChIInChI=1S/C15H13NO4/c1-19-15(18)16-9-13(17)20-14(16)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,14H,9H2,1H3
InChIKeyQUYVKYBTNPJTQK-UHFFFAOYSA-N
XLogP2.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-naphthalen-1-yl-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of methyl 2-naphthalen-1-yl-5-oxo-1,3-oxazolidine-3-carboxylate (CID 593614) is methyl 2-naphthalen-1-yl-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for methyl 2-naphthalen-1-yl-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for methyl 2-naphthalen-1-yl-5-oxo-1,3-oxazolidine-3-carboxylate is COC(=O)N1CC(=O)OC1c1cccc2ccccc12.
What is the InChIKey of methyl 2-naphthalen-1-yl-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is QUYVKYBTNPJTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-19-15(18)16-9-13(17)20-14(16)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,14H,9H2,1H3.
What are the key properties of methyl 2-naphthalen-1-yl-5-oxo-1,3-oxazolidine-3-carboxylate?
methyl 2-naphthalen-1-yl-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 271.27 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-naphthalen-1-yl-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 593614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).