3-[4-[[2-[7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one

C25H24N4O4S — CID 138571210

IUPAC3-[4-[[2-[7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(Cc2cnc(N3CCc4ccc(N5CCOC5=O)cc4C3)s2)cc1
InChIInChI=1S/C25H24N4O4S/c30-24-28(9-11-32-24)20-4-1-17(2-5-20)13-22-15-26-23(34-22)27-8-7-18-3-6-21(14-19(18)16-27)29-10-12-33-25(29)31/h1-6,14-15H,7-13,16H2
InChIKeyWGSZHMCFZHOEBX-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.21
Rot. Bonds5

About 3-[4-[[2-[7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one

3-[4-[[2-[7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 138571210) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 3-[4-[[2-[7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[[2-[7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID138571210
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Name3-[4-[[2-[7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(Cc2cnc(N3CCc4ccc(N5CCOC5=O)cc4C3)s2)cc1
InChIInChI=1S/C25H24N4O4S/c30-24-28(9-11-32-24)20-4-1-17(2-5-20)13-22-15-26-23(34-22)27-8-7-18-3-6-21(14-19(18)16-27)29-10-12-33-25(29)31/h1-6,14-15H,7-13,16H2
InChIKeyWGSZHMCFZHOEBX-UHFFFAOYSA-N
XLogP4.21
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[4-[[2-[7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-[7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[[2-[7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one (CID 138571210) is 3-[4-[[2-[7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[[2-[7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[[2-[7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one is O=C1OCCN1c1ccc(Cc2cnc(N3CCc4ccc(N5CCOC5=O)cc4C3)s2)cc1.
What is the InChIKey of 3-[4-[[2-[7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is WGSZHMCFZHOEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c30-24-28(9-11-32-24)20-4-1-17(2-5-20)13-22-15-26-23(34-22)27-8-7-18-3-6-21(14-19(18)16-27)29-10-12-33-25(29)31/h1-6,14-15H,7-13,16H2.
What are the key properties of 3-[4-[[2-[7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[[2-[7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 476.56 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-[7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 138571210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).