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

C26H28N4O3S — CID 138571504

IUPAC3-[4-[[2-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(Cc2cnc(N3CCc4ccc(N5CCOCC5)cc4C3)s2)cc1
InChIInChI=1S/C26H28N4O3S/c31-26-30(11-14-33-26)22-4-1-19(2-5-22)15-24-17-27-25(34-24)29-8-7-20-3-6-23(16-21(20)18-29)28-9-12-32-13-10-28/h1-6,16-17H,7-15,18H2
InChIKeyLBSUNMDZXBUADT-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.09
Rot. Bonds5

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

3-[4-[[2-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 138571504) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is 3-[4-[[2-(7-morpholin-4-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-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID138571504
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC Name3-[4-[[2-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(Cc2cnc(N3CCc4ccc(N5CCOCC5)cc4C3)s2)cc1
InChIInChI=1S/C26H28N4O3S/c31-26-30(11-14-33-26)22-4-1-19(2-5-22)15-24-17-27-25(34-24)29-8-7-20-3-6-23(16-21(20)18-29)28-9-12-32-13-10-28/h1-6,16-17H,7-15,18H2
InChIKeyLBSUNMDZXBUADT-UHFFFAOYSA-N
XLogP4.09
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 3-[4-[[2-(7-morpholin-4-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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Related Compounds

1-[5-(3-Morpholin-4-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907657
US10138230, Example F118
CID 134190330
US11459321, Example 51
CID 138571168
US11459321, Example 50
CID 138571173
US11459321, Example 35
CID 138571194
US11459321, Example 44
CID 138571195
US11459321, Example 56
CID 138571197
US11459321, Example 57
CID 138571198
US11459321, Example 59
CID 138571199
US11459321, Example 24
CID 138571203
US11459321, Example 34
CID 138571208
US11459321, Example 32
CID 138571210

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(7-morpholin-4-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-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one (CID 138571504) is 3-[4-[[2-(7-morpholin-4-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-morpholin-4-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-morpholin-4-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(N5CCOCC5)cc4C3)s2)cc1.
What is the InChIKey of 3-[4-[[2-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is LBSUNMDZXBUADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c31-26-30(11-14-33-26)22-4-1-19(2-5-22)15-24-17-27-25(34-24)29-8-7-20-3-6-23(16-21(20)18-29)28-9-12-32-13-10-28/h1-6,16-17H,7-15,18H2.
What are the key properties of 3-[4-[[2-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[[2-(7-morpholin-4-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 476.60 g/mol, XLogP of 4.09, 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-morpholin-4-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 138571504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).