methyl 5-(hydroxymethyl)-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate

C18H19NO5 — CID 18474887

IUPACmethyl 5-(hydroxymethyl)-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1C(CO)OC(=O)N1C(C)c1cccc2ccccc12
InChIInChI=1S/C18H19NO5/c1-11(13-9-5-7-12-6-3-4-8-14(12)13)19-16(17(21)23-2)15(10-20)24-18(19)22/h3-9,11,15-16,20H,10H2,1-2H3
InChIKeyOGCVQHLHDKLEHD-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.26
Rot. Bonds4

About methyl 5-(hydroxymethyl)-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate

methyl 5-(hydroxymethyl)-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 18474887) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl 5-(hydroxymethyl)-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(hydroxymethyl)-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID18474887
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namemethyl 5-(hydroxymethyl)-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1C(CO)OC(=O)N1C(C)c1cccc2ccccc12
InChIInChI=1S/C18H19NO5/c1-11(13-9-5-7-12-6-3-4-8-14(12)13)19-16(17(21)23-2)15(10-20)24-18(19)22/h3-9,11,15-16,20H,10H2,1-2H3
InChIKeyOGCVQHLHDKLEHD-UHFFFAOYSA-N
XLogP2.26
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(hydroxymethyl)-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 5-(hydroxymethyl)-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate (CID 18474887) is methyl 5-(hydroxymethyl)-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 5-(hydroxymethyl)-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 5-(hydroxymethyl)-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate is COC(=O)C1C(CO)OC(=O)N1C(C)c1cccc2ccccc12.
What is the InChIKey of methyl 5-(hydroxymethyl)-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is OGCVQHLHDKLEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-11(13-9-5-7-12-6-3-4-8-14(12)13)19-16(17(21)23-2)15(10-20)24-18(19)22/h3-9,11,15-16,20H,10H2,1-2H3.
What are the key properties of methyl 5-(hydroxymethyl)-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate?
methyl 5-(hydroxymethyl)-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 329.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(hydroxymethyl)-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 18474887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).