3-acetyl-5-(2,5-difluorophenyl)spiro[1,3,4-oxadiazole-2,3'-1H-indole]-2'-one

C17H11F2N3O3 — CID 58341236

IUPAC3-acetyl-5-(2,5-difluorophenyl)spiro[1,3,4-oxadiazole-2,3'-1H-indole]-2'-one
SMILESCC(=O)N1N=C(c2cc(F)ccc2F)OC12C(=O)Nc1ccccc12
InChIInChI=1S/C17H11F2N3O3/c1-9(23)22-17(12-4-2-3-5-14(12)20-16(17)24)25-15(21-22)11-8-10(18)6-7-13(11)19/h2-8H,1H3,(H,20,24)
InChIKeyCTGGCVHAGTXGIU-UHFFFAOYSA-N
MW343.29 g/mol
LogP2.31
Rot. Bonds1

About 3-acetyl-5-(2,5-difluorophenyl)spiro[1,3,4-oxadiazole-2,3'-1H-indole]-2'-one

3-acetyl-5-(2,5-difluorophenyl)spiro[1,3,4-oxadiazole-2,3'-1H-indole]-2'-one (PubChem CID 58341236) has the molecular formula C17H11F2N3O3 and a molecular weight of 343.29 g/mol. Its IUPAC name is 3-acetyl-5-(2,5-difluorophenyl)spiro[1,3,4-oxadiazole-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name3-acetyl-5-(2,5-difluorophenyl)spiro[1,3,4-oxadiazole-2,3'-1H-indole]-2'-one
PubChem CID58341236
Molecular FormulaC17H11F2N3O3
Molecular Weight343.29 g/mol
Exact Mass343.08
IUPAC Name3-acetyl-5-(2,5-difluorophenyl)spiro[1,3,4-oxadiazole-2,3'-1H-indole]-2'-one
SMILESCC(=O)N1N=C(c2cc(F)ccc2F)OC12C(=O)Nc1ccccc12
InChIInChI=1S/C17H11F2N3O3/c1-9(23)22-17(12-4-2-3-5-14(12)20-16(17)24)25-15(21-22)11-8-10(18)6-7-13(11)19/h2-8H,1H3,(H,20,24)
InChIKeyCTGGCVHAGTXGIU-UHFFFAOYSA-N
XLogP2.31
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-(2,5-difluorophenyl)spiro[1,3,4-oxadiazole-2,3'-1H-indole]-2'-one?
The IUPAC name of 3-acetyl-5-(2,5-difluorophenyl)spiro[1,3,4-oxadiazole-2,3'-1H-indole]-2'-one (CID 58341236) is 3-acetyl-5-(2,5-difluorophenyl)spiro[1,3,4-oxadiazole-2,3'-1H-indole]-2'-one.
What is the SMILES notation for 3-acetyl-5-(2,5-difluorophenyl)spiro[1,3,4-oxadiazole-2,3'-1H-indole]-2'-one?
The canonical SMILES for 3-acetyl-5-(2,5-difluorophenyl)spiro[1,3,4-oxadiazole-2,3'-1H-indole]-2'-one is CC(=O)N1N=C(c2cc(F)ccc2F)OC12C(=O)Nc1ccccc12.
What is the InChIKey of 3-acetyl-5-(2,5-difluorophenyl)spiro[1,3,4-oxadiazole-2,3'-1H-indole]-2'-one?
The InChIKey is CTGGCVHAGTXGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O3/c1-9(23)22-17(12-4-2-3-5-14(12)20-16(17)24)25-15(21-22)11-8-10(18)6-7-13(11)19/h2-8H,1H3,(H,20,24).
What are the key properties of 3-acetyl-5-(2,5-difluorophenyl)spiro[1,3,4-oxadiazole-2,3'-1H-indole]-2'-one?
3-acetyl-5-(2,5-difluorophenyl)spiro[1,3,4-oxadiazole-2,3'-1H-indole]-2'-one has a molecular weight of 343.29 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-(2,5-difluorophenyl)spiro[1,3,4-oxadiazole-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 58341236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).