6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one

C19H11F4N7O2 — CID 162722013

IUPAC6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(-c3nnn(Cc4c(F)cc(-c5nnc(C(F)F)o5)cc4F)n3)cc21
InChIInChI=1S/C19H11F4N7O2/c20-13-4-10(18-26-27-19(32-18)15(22)23)5-14(21)12(13)7-30-28-16(25-29-30)8-1-2-9-6-24-17(31)11(9)3-8/h1-5,15H,6-7H2,(H,24,31)
InChIKeyJXJHTFUZSGBILX-UHFFFAOYSA-N
MW445.34 g/mol
LogP2.90
Rot. Bonds5

About 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one

6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one (PubChem CID 162722013) has the molecular formula C19H11F4N7O2 and a molecular weight of 445.34 g/mol. Its IUPAC name is 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one
PubChem CID162722013
Molecular FormulaC19H11F4N7O2
Molecular Weight445.34 g/mol
Exact Mass445.09
IUPAC Name6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(-c3nnn(Cc4c(F)cc(-c5nnc(C(F)F)o5)cc4F)n3)cc21
InChIInChI=1S/C19H11F4N7O2/c20-13-4-10(18-26-27-19(32-18)15(22)23)5-14(21)12(13)7-30-28-16(25-29-30)8-1-2-9-6-24-17(31)11(9)3-8/h1-5,15H,6-7H2,(H,24,31)
InChIKeyJXJHTFUZSGBILX-UHFFFAOYSA-N
XLogP2.90
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one (CID 162722013) is 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one is O=C1NCc2ccc(-c3nnn(Cc4c(F)cc(-c5nnc(C(F)F)o5)cc4F)n3)cc21.
What is the InChIKey of 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is JXJHTFUZSGBILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F4N7O2/c20-13-4-10(18-26-27-19(32-18)15(22)23)5-14(21)12(13)7-30-28-16(25-29-30)8-1-2-9-6-24-17(31)11(9)3-8/h1-5,15H,6-7H2,(H,24,31).
What are the key properties of 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one?
6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 445.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 162722013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).