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

C23H15ClN4O4S — CID 11591069

IUPAC3'-(4-chlorophenyl)-6'-(2-nitrophenyl)spiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one
SMILESO=C1Nc2ccccc2C12SC1C(=NOC1c1ccc(Cl)cc1)N2c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C23H15ClN4O4S/c24-14-11-9-13(10-12-14)19-20-21(26-32-19)27(17-7-3-4-8-18(17)28(30)31)23(33-20)15-5-1-2-6-16(15)25-22(23)29/h1-12,19-20H,(H,25,29)
InChIKeyRZSDZBNCPRPLDX-UHFFFAOYSA-N
MW478.92 g/mol
LogP5.06
Rot. Bonds3

About 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

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 (PubChem CID 11591069) has the molecular formula C23H15ClN4O4S and a molecular weight of 478.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3'-(4-chlorophenyl)-6'-(2-nitrophenyl)spiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one
PubChem CID11591069
Molecular FormulaC23H15ClN4O4S
Molecular Weight478.92 g/mol
Exact Mass478.05
IUPAC Name3'-(4-chlorophenyl)-6'-(2-nitrophenyl)spiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one
SMILESO=C1Nc2ccccc2C12SC1C(=NOC1c1ccc(Cl)cc1)N2c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C23H15ClN4O4S/c24-14-11-9-13(10-12-14)19-20-21(26-32-19)27(17-7-3-4-8-18(17)28(30)31)23(33-20)15-5-1-2-6-16(15)25-22(23)29/h1-12,19-20H,(H,25,29)
InChIKeyRZSDZBNCPRPLDX-UHFFFAOYSA-N
XLogP5.06
TPSA97.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.92
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
6'-(4-chlorophenyl)-3'-(4-nitrophenyl)spiro[1H-indole-3,5'-3,3a-dihydro-2H-pyrazolo[3,4-d][1,3]thiazole]-2-one
CID 16745288
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
(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,5R)-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7118279
[(4R,5R)-5-(4-chlorophenyl)-3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone
CID 23643881
(2S,5S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 100817082
(2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 902536
(2S,5S)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7722521
(2R,5R)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7722274
(5S,6S,7S)-6-(4-chlorophenyl)-7-nitrospiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-1H-indole]-2'-one
CID 71592013

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1Nc2ccccc2C12SC1C(=NOC1c1ccc(Cl)cc1)N2c1ccccc1[N+](=O)[O-].
What is the InChIKey of 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?
The InChIKey is RZSDZBNCPRPLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN4O4S/c24-14-11-9-13(10-12-14)19-20-21(26-32-19)27(17-7-3-4-8-18(17)28(30)31)23(33-20)15-5-1-2-6-16(15)25-22(23)29/h1-12,19-20H,(H,25,29).
What are the key properties of 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?
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 has a molecular weight of 478.92 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11591069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).