2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]isoindole-1,3-dione

C17H10F2N4O3 — CID 155365781

IUPAC2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C17H10F2N4O3/c18-13(19)15-22-21-14(26-15)9-5-6-10(20-7-9)8-23-16(24)11-3-1-2-4-12(11)17(23)25/h1-7,13H,8H2
InChIKeyAUZQGWDCCLYYPW-UHFFFAOYSA-N
MW356.29 g/mol
LogP2.87
Rot. Bonds4

About 2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]isoindole-1,3-dione

2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]isoindole-1,3-dione (PubChem CID 155365781) has the molecular formula C17H10F2N4O3 and a molecular weight of 356.29 g/mol. Its IUPAC name is 2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]isoindole-1,3-dione
PubChem CID155365781
Molecular FormulaC17H10F2N4O3
Molecular Weight356.29 g/mol
Exact Mass356.07
IUPAC Name2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C17H10F2N4O3/c18-13(19)15-22-21-14(26-15)9-5-6-10(20-7-9)8-23-16(24)11-3-1-2-4-12(11)17(23)25/h1-7,13H,8H2
InChIKeyAUZQGWDCCLYYPW-UHFFFAOYSA-N
XLogP2.87
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]isoindole-1,3-dione (CID 155365781) is 2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1ccc(-c2nnc(C(F)F)o2)cn1.
What is the InChIKey of 2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]isoindole-1,3-dione?
The InChIKey is AUZQGWDCCLYYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N4O3/c18-13(19)15-22-21-14(26-15)9-5-6-10(20-7-9)8-23-16(24)11-3-1-2-4-12(11)17(23)25/h1-7,13H,8H2.
What are the key properties of 2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]isoindole-1,3-dione?
2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]isoindole-1,3-dione has a molecular weight of 356.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 155365781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).