3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one

C24H21N3O6S — CID 58408304

IUPAC3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one
SMILESCOc1ccc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C3=NOC(=O)C3)cc2)c(OC)n1
InChIInChI=1S/C24H21N3O6S/c1-31-22-10-8-19(24(25-22)32-2)16-5-9-21-17(13-16)11-12-27(21)34(29,30)18-6-3-15(4-7-18)20-14-23(28)33-26-20/h3-10,13H,11-12,14H2,1-2H3
InChIKeyOLWUAIQLDFVYMH-UHFFFAOYSA-N
MW479.51 g/mol
LogP3.17
Rot. Bonds6

About 3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one

3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one (PubChem CID 58408304) has the molecular formula C24H21N3O6S and a molecular weight of 479.51 g/mol. Its IUPAC name is 3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one
PubChem CID58408304
Molecular FormulaC24H21N3O6S
Molecular Weight479.51 g/mol
Exact Mass479.12
IUPAC Name3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one
SMILESCOc1ccc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C3=NOC(=O)C3)cc2)c(OC)n1
InChIInChI=1S/C24H21N3O6S/c1-31-22-10-8-19(24(25-22)32-2)16-5-9-21-17(13-16)11-12-27(21)34(29,30)18-6-3-15(4-7-18)20-14-23(28)33-26-20/h3-10,13H,11-12,14H2,1-2H3
InChIKeyOLWUAIQLDFVYMH-UHFFFAOYSA-N
XLogP3.17
TPSA107.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one?
The IUPAC name of 3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one (CID 58408304) is 3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one.
What is the SMILES notation for 3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one?
The canonical SMILES for 3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one is COc1ccc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C3=NOC(=O)C3)cc2)c(OC)n1.
What is the InChIKey of 3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one?
The InChIKey is OLWUAIQLDFVYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O6S/c1-31-22-10-8-19(24(25-22)32-2)16-5-9-21-17(13-16)11-12-27(21)34(29,30)18-6-3-15(4-7-18)20-14-23(28)33-26-20/h3-10,13H,11-12,14H2,1-2H3.
What are the key properties of 3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one?
3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one has a molecular weight of 479.51 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[5-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one is sourced from PubChem (CID 58408304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).