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

C25H25NO4 — CID 18474852

IUPACmethyl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1C(CCc2ccccc2)OC(=O)N1C(C)c1cccc2ccccc12
InChIInChI=1S/C25H25NO4/c1-17(20-14-8-12-19-11-6-7-13-21(19)20)26-23(24(27)29-2)22(30-25(26)28)16-15-18-9-4-3-5-10-18/h3-14,17,22-23H,15-16H2,1-2H3
InChIKeyAOAZMSXNMPZZDX-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.90
Rot. Bonds6

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

methyl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate (PubChem CID 18474852) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is methyl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate
PubChem CID18474852
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Namemethyl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1C(CCc2ccccc2)OC(=O)N1C(C)c1cccc2ccccc12
InChIInChI=1S/C25H25NO4/c1-17(20-14-8-12-19-11-6-7-13-21(19)20)26-23(24(27)29-2)22(30-25(26)28)16-15-18-9-4-3-5-10-18/h3-14,17,22-23H,15-16H2,1-2H3
InChIKeyAOAZMSXNMPZZDX-UHFFFAOYSA-N
XLogP4.90
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate (CID 18474852) is methyl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate is COC(=O)C1C(CCc2ccccc2)OC(=O)N1C(C)c1cccc2ccccc12.
What is the InChIKey of methyl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate?
The InChIKey is AOAZMSXNMPZZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-17(20-14-8-12-19-11-6-7-13-21(19)20)26-23(24(27)29-2)22(30-25(26)28)16-15-18-9-4-3-5-10-18/h3-14,17,22-23H,15-16H2,1-2H3.
What are the key properties of methyl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate?
methyl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate has a molecular weight of 403.48 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 18474852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).