5-[[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-thiazol-4-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione

C26H22N2O4S — CID 14913668

IUPAC5-[[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-thiazol-4-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCc1sc(-c2ccc3ccccc3c2)nc1CCOc1ccc(CC2OC(=O)NC2=O)cc1
InChIInChI=1S/C26H22N2O4S/c1-16-22(27-25(33-16)20-9-8-18-4-2-3-5-19(18)15-20)12-13-31-21-10-6-17(7-11-21)14-23-24(29)28-26(30)32-23/h2-11,15,23H,12-14H2,1H3,(H,28,29,30)
InChIKeyHAJMTIRYKAHKGV-UHFFFAOYSA-N
MW458.54 g/mol
LogP5.07
Rot. Bonds7

About 5-[[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-thiazol-4-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione

5-[[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-thiazol-4-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 14913668) has the molecular formula C26H22N2O4S and a molecular weight of 458.54 g/mol. Its IUPAC name is 5-[[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-thiazol-4-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-thiazol-4-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID14913668
Molecular FormulaC26H22N2O4S
Molecular Weight458.54 g/mol
Exact Mass458.13
IUPAC Name5-[[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-thiazol-4-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCc1sc(-c2ccc3ccccc3c2)nc1CCOc1ccc(CC2OC(=O)NC2=O)cc1
InChIInChI=1S/C26H22N2O4S/c1-16-22(27-25(33-16)20-9-8-18-4-2-3-5-19(18)15-20)12-13-31-21-10-6-17(7-11-21)14-23-24(29)28-26(30)32-23/h2-11,15,23H,12-14H2,1H3,(H,28,29,30)
InChIKeyHAJMTIRYKAHKGV-UHFFFAOYSA-N
XLogP5.07
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.54
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-thiazol-4-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-thiazol-4-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione (CID 14913668) is 5-[[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-thiazol-4-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-thiazol-4-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-thiazol-4-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione is Cc1sc(-c2ccc3ccccc3c2)nc1CCOc1ccc(CC2OC(=O)NC2=O)cc1.
What is the InChIKey of 5-[[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-thiazol-4-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is HAJMTIRYKAHKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4S/c1-16-22(27-25(33-16)20-9-8-18-4-2-3-5-19(18)15-20)12-13-31-21-10-6-17(7-11-21)14-23-24(29)28-26(30)32-23/h2-11,15,23H,12-14H2,1H3,(H,28,29,30).
What are the key properties of 5-[[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-thiazol-4-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione?
5-[[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-thiazol-4-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 458.54 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-thiazol-4-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 14913668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).