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

C23H19F2N5O — CID 166201814

IUPAC2-(3-fluorophenyl)-5-[6-(5-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(C3CC34CCN(c3ncnc5cccc(F)c35)CC4)o2)c1
InChIInChI=1S/C23H19F2N5O/c24-15-4-1-3-14(11-15)21-28-29-22(31-21)16-12-23(16)7-9-30(10-8-23)20-19-17(25)5-2-6-18(19)26-13-27-20/h1-6,11,13,16H,7-10,12H2
InChIKeyFECVRHZPAKMXOB-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.73
Rot. Bonds3

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

2-(3-fluorophenyl)-5-[6-(5-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole (PubChem CID 166201814) has the molecular formula C23H19F2N5O and a molecular weight of 419.44 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-[6-(5-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-[6-(5-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole
PubChem CID166201814
Molecular FormulaC23H19F2N5O
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name2-(3-fluorophenyl)-5-[6-(5-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(C3CC34CCN(c3ncnc5cccc(F)c35)CC4)o2)c1
InChIInChI=1S/C23H19F2N5O/c24-15-4-1-3-14(11-15)21-28-29-22(31-21)16-12-23(16)7-9-30(10-8-23)20-19-17(25)5-2-6-18(19)26-13-27-20/h1-6,11,13,16H,7-10,12H2
InChIKeyFECVRHZPAKMXOB-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-(5-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-fluorophenyl)-5-[6-(5-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole (CID 166201814) is 2-(3-fluorophenyl)-5-[6-(5-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-(5-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-fluorophenyl)-5-[6-(5-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole is Fc1cccc(-c2nnc(C3CC34CCN(c3ncnc5cccc(F)c35)CC4)o2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-[6-(5-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole?
The InChIKey is FECVRHZPAKMXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O/c24-15-4-1-3-14(11-15)21-28-29-22(31-21)16-12-23(16)7-9-30(10-8-23)20-19-17(25)5-2-6-18(19)26-13-27-20/h1-6,11,13,16H,7-10,12H2.
What are the key properties of 2-(3-fluorophenyl)-5-[6-(5-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole?
2-(3-fluorophenyl)-5-[6-(5-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-(5-fluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 166201814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).