2-(3-fluorophenyl)-5-[6-(6-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole

C23H19F2N5O — CID 166201817

IUPAC2-(3-fluorophenyl)-5-[6-(6-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(C3CC34CCN(c3ncnc5ccc(F)cc35)CC4)o2)c1
InChIInChI=1S/C23H19F2N5O/c24-15-3-1-2-14(10-15)21-28-29-22(31-21)18-12-23(18)6-8-30(9-7-23)20-17-11-16(25)4-5-19(17)26-13-27-20/h1-5,10-11,13,18H,6-9,12H2
InChIKeyIWRBYFDQZYZLMA-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.73
Rot. Bonds3

About 2-(3-fluorophenyl)-5-[6-(6-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole

2-(3-fluorophenyl)-5-[6-(6-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole (PubChem CID 166201817) has the molecular formula C23H19F2N5O and a molecular weight of 419.44 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-[6-(6-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-[6-(6-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole
PubChem CID166201817
Molecular FormulaC23H19F2N5O
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name2-(3-fluorophenyl)-5-[6-(6-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(C3CC34CCN(c3ncnc5ccc(F)cc35)CC4)o2)c1
InChIInChI=1S/C23H19F2N5O/c24-15-3-1-2-14(10-15)21-28-29-22(31-21)18-12-23(18)6-8-30(9-7-23)20-17-11-16(25)4-5-19(17)26-13-27-20/h1-5,10-11,13,18H,6-9,12H2
InChIKeyIWRBYFDQZYZLMA-UHFFFAOYSA-N
XLogP4.73
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-[6-(6-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-fluorophenyl)-5-[6-(6-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole (CID 166201817) is 2-(3-fluorophenyl)-5-[6-(6-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-fluorophenyl)-5-[6-(6-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-fluorophenyl)-5-[6-(6-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole is Fc1cccc(-c2nnc(C3CC34CCN(c3ncnc5ccc(F)cc35)CC4)o2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-[6-(6-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole?
The InChIKey is IWRBYFDQZYZLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O/c24-15-3-1-2-14(10-15)21-28-29-22(31-21)18-12-23(18)6-8-30(9-7-23)20-17-11-16(25)4-5-19(17)26-13-27-20/h1-5,10-11,13,18H,6-9,12H2.
What are the key properties of 2-(3-fluorophenyl)-5-[6-(6-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole?
2-(3-fluorophenyl)-5-[6-(6-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole has a molecular weight of 419.44 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-[6-(6-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 166201817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).