1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]spiro[indole-3,4'-oxane]-2-one

C22H19F2N3O3 — CID 155233441

IUPAC1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]spiro[indole-3,4'-oxane]-2-one
SMILESO=C1N(Cc2ccc(-c3nnc(C(F)F)o3)cc2)c2ccccc2C12CCOCC2
InChIInChI=1S/C22H19F2N3O3/c23-18(24)20-26-25-19(30-20)15-7-5-14(6-8-15)13-27-17-4-2-1-3-16(17)22(21(27)28)9-11-29-12-10-22/h1-8,18H,9-13H2
InChIKeyVORWMYVTKGYLEK-UHFFFAOYSA-N
MW411.41 g/mol
LogP4.27
Rot. Bonds4

About 1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]spiro[indole-3,4'-oxane]-2-one

1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]spiro[indole-3,4'-oxane]-2-one (PubChem CID 155233441) has the molecular formula C22H19F2N3O3 and a molecular weight of 411.41 g/mol. Its IUPAC name is 1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]spiro[indole-3,4'-oxane]-2-one.

Molecular Properties

Compound Name1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]spiro[indole-3,4'-oxane]-2-one
PubChem CID155233441
Molecular FormulaC22H19F2N3O3
Molecular Weight411.41 g/mol
Exact Mass411.14
IUPAC Name1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]spiro[indole-3,4'-oxane]-2-one
SMILESO=C1N(Cc2ccc(-c3nnc(C(F)F)o3)cc2)c2ccccc2C12CCOCC2
InChIInChI=1S/C22H19F2N3O3/c23-18(24)20-26-25-19(30-20)15-7-5-14(6-8-15)13-27-17-4-2-1-3-16(17)22(21(27)28)9-11-29-12-10-22/h1-8,18H,9-13H2
InChIKeyVORWMYVTKGYLEK-UHFFFAOYSA-N
XLogP4.27
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]spiro[indole-3,4'-oxane]-2-one?
The IUPAC name of 1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]spiro[indole-3,4'-oxane]-2-one (CID 155233441) is 1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]spiro[indole-3,4'-oxane]-2-one.
What is the SMILES notation for 1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]spiro[indole-3,4'-oxane]-2-one?
The canonical SMILES for 1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]spiro[indole-3,4'-oxane]-2-one is O=C1N(Cc2ccc(-c3nnc(C(F)F)o3)cc2)c2ccccc2C12CCOCC2.
What is the InChIKey of 1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]spiro[indole-3,4'-oxane]-2-one?
The InChIKey is VORWMYVTKGYLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O3/c23-18(24)20-26-25-19(30-20)15-7-5-14(6-8-15)13-27-17-4-2-1-3-16(17)22(21(27)28)9-11-29-12-10-22/h1-8,18H,9-13H2.
What are the key properties of 1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]spiro[indole-3,4'-oxane]-2-one?
1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]spiro[indole-3,4'-oxane]-2-one has a molecular weight of 411.41 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]spiro[indole-3,4'-oxane]-2-one is sourced from PubChem (CID 155233441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).