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

C23H18N2O4S — CID 14913676

IUPAC5-[[2-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCc1sc(-c2ccccc2)nc1Cc1cc2cc(CC3OC(=O)NC3=O)ccc2o1
InChIInChI=1S/C23H18N2O4S/c1-13-18(24-22(30-13)15-5-3-2-4-6-15)12-17-11-16-9-14(7-8-19(16)28-17)10-20-21(26)25-23(27)29-20/h2-9,11,20H,10,12H2,1H3,(H,25,26,27)
InChIKeyBTUPRSWECAIPRL-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.63
Rot. Bonds5

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

5-[[2-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 14913676) has the molecular formula C23H18N2O4S and a molecular weight of 418.47 g/mol. Its IUPAC name is 5-[[2-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[2-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID14913676
Molecular FormulaC23H18N2O4S
Molecular Weight418.47 g/mol
Exact Mass418.10
IUPAC Name5-[[2-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCc1sc(-c2ccccc2)nc1Cc1cc2cc(CC3OC(=O)NC3=O)ccc2o1
InChIInChI=1S/C23H18N2O4S/c1-13-18(24-22(30-13)15-5-3-2-4-6-15)12-17-11-16-9-14(7-8-19(16)28-17)10-20-21(26)25-23(27)29-20/h2-9,11,20H,10,12H2,1H3,(H,25,26,27)
InChIKeyBTUPRSWECAIPRL-UHFFFAOYSA-N
XLogP4.63
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[[2-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 14913676) is 5-[[2-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[[2-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[[2-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione is Cc1sc(-c2ccccc2)nc1Cc1cc2cc(CC3OC(=O)NC3=O)ccc2o1.
What is the InChIKey of 5-[[2-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is BTUPRSWECAIPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4S/c1-13-18(24-22(30-13)15-5-3-2-4-6-15)12-17-11-16-9-14(7-8-19(16)28-17)10-20-21(26)25-23(27)29-20/h2-9,11,20H,10,12H2,1H3,(H,25,26,27).
What are the key properties of 5-[[2-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione?
5-[[2-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 418.47 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 14913676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).