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

C23H16F3N3O4S — CID 58408298

IUPAC3-[4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one
SMILESO=C1CC(c2ccc(S(=O)(=O)N3CCc4cc(-c5ccc(C(F)(F)F)cn5)ccc43)cc2)=NO1
InChIInChI=1S/C23H16F3N3O4S/c24-23(25,26)17-4-7-19(27-13-17)15-3-8-21-16(11-15)9-10-29(21)34(31,32)18-5-1-14(2-6-18)20-12-22(30)33-28-20/h1-8,11,13H,9-10,12H2
InChIKeyWYDMKQOSBHZIJH-UHFFFAOYSA-N
MW487.46 g/mol
LogP4.17
Rot. Bonds4

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

3-[4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one (PubChem CID 58408298) has the molecular formula C23H16F3N3O4S and a molecular weight of 487.46 g/mol. Its IUPAC name is 3-[4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-[4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one
PubChem CID58408298
Molecular FormulaC23H16F3N3O4S
Molecular Weight487.46 g/mol
Exact Mass487.08
IUPAC Name3-[4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one
SMILESO=C1CC(c2ccc(S(=O)(=O)N3CCc4cc(-c5ccc(C(F)(F)F)cn5)ccc43)cc2)=NO1
InChIInChI=1S/C23H16F3N3O4S/c24-23(25,26)17-4-7-19(27-13-17)15-3-8-21-16(11-15)9-10-29(21)34(31,32)18-5-1-14(2-6-18)20-12-22(30)33-28-20/h1-8,11,13H,9-10,12H2
InChIKeyWYDMKQOSBHZIJH-UHFFFAOYSA-N
XLogP4.17
TPSA88.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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1-(benzenesulfonyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-2,3-dihydroindole
CID 141206222
3-[5-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-2H-1,2,4-oxadiazete
CID 90464320
6-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroindol-2-one
CID 155502531
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CID 123371401
1-(4-fluorophenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
CID 118714845
[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 24685279
1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol
CID 10779793
1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 16642565
4-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 18109053
1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one
CID 158824207

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one?
The IUPAC name of 3-[4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one (CID 58408298) is 3-[4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one.
What is the SMILES notation for 3-[4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one?
The canonical SMILES for 3-[4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one is O=C1CC(c2ccc(S(=O)(=O)N3CCc4cc(-c5ccc(C(F)(F)F)cn5)ccc43)cc2)=NO1.
What is the InChIKey of 3-[4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one?
The InChIKey is WYDMKQOSBHZIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O4S/c24-23(25,26)17-4-7-19(27-13-17)15-3-8-21-16(11-15)9-10-29(21)34(31,32)18-5-1-14(2-6-18)20-12-22(30)33-28-20/h1-8,11,13H,9-10,12H2.
What are the key properties of 3-[4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one?
3-[4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one has a molecular weight of 487.46 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-4H-1,2-oxazol-5-one is sourced from PubChem (CID 58408298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).