3'-(2-hydroxyphenyl)-6'-(2-methoxyphenyl)spiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one

C24H19N3O4S — CID 11612029

IUPAC3'-(2-hydroxyphenyl)-6'-(2-methoxyphenyl)spiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one
SMILESCOc1ccccc1N1C2=NOC(c3ccccc3O)C2SC12C(=O)Nc1ccccc12
InChIInChI=1S/C24H19N3O4S/c1-30-19-13-7-5-11-17(19)27-22-21(20(31-26-22)14-8-2-6-12-18(14)28)32-24(27)15-9-3-4-10-16(15)25-23(24)29/h2-13,20-21,28H,1H3,(H,25,29)
InChIKeyLBWGGAICTDTWJS-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.21
Rot. Bonds3

About 3'-(2-hydroxyphenyl)-6'-(2-methoxyphenyl)spiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one

3'-(2-hydroxyphenyl)-6'-(2-methoxyphenyl)spiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one (PubChem CID 11612029) has the molecular formula C24H19N3O4S and a molecular weight of 445.50 g/mol. Its IUPAC name is 3'-(2-hydroxyphenyl)-6'-(2-methoxyphenyl)spiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one.

Molecular Properties

Compound Name3'-(2-hydroxyphenyl)-6'-(2-methoxyphenyl)spiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one
PubChem CID11612029
Molecular FormulaC24H19N3O4S
Molecular Weight445.50 g/mol
Exact Mass445.11
IUPAC Name3'-(2-hydroxyphenyl)-6'-(2-methoxyphenyl)spiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one
SMILESCOc1ccccc1N1C2=NOC(c3ccccc3O)C2SC12C(=O)Nc1ccccc12
InChIInChI=1S/C24H19N3O4S/c1-30-19-13-7-5-11-17(19)27-22-21(20(31-26-22)14-8-2-6-12-18(14)28)32-24(27)15-9-3-4-10-16(15)25-23(24)29/h2-13,20-21,28H,1H3,(H,25,29)
InChIKeyLBWGGAICTDTWJS-UHFFFAOYSA-N
XLogP4.21
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3',6'-diphenylspiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one
CID 11711039
3'-(4-chlorophenyl)-6'-(2-nitrophenyl)spiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one
CID 11591069
(2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 902536
(2S,5R)-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7118279
(3R)-3-hydroxy-3-(2-methoxyphenyl)-1H-indol-2-one
CID 7333204
(2S,5S)-5-methyl-3-[4-(trifluoromethoxy)phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7322135
(2R,5R)-3-(3,5-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7218142
3-(3,5-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 2732551
(2S,5S)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7722521
(2S,5S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 100817082
(3R,3aS,6aR)-3-(2-hydroxyphenyl)-5-(2-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7420762
(3S,3aS,6aR)-3-(2-hydroxyphenyl)-5-(2-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7420763

Frequently Asked Questions

What is the IUPAC name of 3'-(2-hydroxyphenyl)-6'-(2-methoxyphenyl)spiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one?
The IUPAC name of 3'-(2-hydroxyphenyl)-6'-(2-methoxyphenyl)spiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one (CID 11612029) is 3'-(2-hydroxyphenyl)-6'-(2-methoxyphenyl)spiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one.
What is the SMILES notation for 3'-(2-hydroxyphenyl)-6'-(2-methoxyphenyl)spiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one?
The canonical SMILES for 3'-(2-hydroxyphenyl)-6'-(2-methoxyphenyl)spiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one is COc1ccccc1N1C2=NOC(c3ccccc3O)C2SC12C(=O)Nc1ccccc12.
What is the InChIKey of 3'-(2-hydroxyphenyl)-6'-(2-methoxyphenyl)spiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one?
The InChIKey is LBWGGAICTDTWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4S/c1-30-19-13-7-5-11-17(19)27-22-21(20(31-26-22)14-8-2-6-12-18(14)28)32-24(27)15-9-3-4-10-16(15)25-23(24)29/h2-13,20-21,28H,1H3,(H,25,29).
What are the key properties of 3'-(2-hydroxyphenyl)-6'-(2-methoxyphenyl)spiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one?
3'-(2-hydroxyphenyl)-6'-(2-methoxyphenyl)spiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one has a molecular weight of 445.50 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(2-hydroxyphenyl)-6'-(2-methoxyphenyl)spiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one is sourced from PubChem (CID 11612029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).