2-[6-(6,7-difluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole

C23H18F3N5O — CID 166215991

IUPAC2-[6-(6,7-difluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(C3CC34CCN(c3ncnc5cc(F)c(F)cc35)CC4)o2)c1
InChIInChI=1S/C23H18F3N5O/c24-14-3-1-2-13(8-14)21-29-30-22(32-21)16-11-23(16)4-6-31(7-5-23)20-15-9-17(25)18(26)10-19(15)27-12-28-20/h1-3,8-10,12,16H,4-7,11H2
InChIKeyPITSBVWURNCDLA-UHFFFAOYSA-N
MW437.43 g/mol
LogP4.87
Rot. Bonds3

About 2-[6-(6,7-difluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole

2-[6-(6,7-difluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 166215991) has the molecular formula C23H18F3N5O and a molecular weight of 437.43 g/mol. Its IUPAC name is 2-[6-(6,7-difluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[6-(6,7-difluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
PubChem CID166215991
Molecular FormulaC23H18F3N5O
Molecular Weight437.43 g/mol
Exact Mass437.15
IUPAC Name2-[6-(6,7-difluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(C3CC34CCN(c3ncnc5cc(F)c(F)cc35)CC4)o2)c1
InChIInChI=1S/C23H18F3N5O/c24-14-3-1-2-13(8-14)21-29-30-22(32-21)16-11-23(16)4-6-31(7-5-23)20-15-9-17(25)18(26)10-19(15)27-12-28-20/h1-3,8-10,12,16H,4-7,11H2
InChIKeyPITSBVWURNCDLA-UHFFFAOYSA-N
XLogP4.87
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-(6,7-difluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(6,7-difluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[6-(6,7-difluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole (CID 166215991) is 2-[6-(6,7-difluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[6-(6,7-difluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[6-(6,7-difluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole is Fc1cccc(-c2nnc(C3CC34CCN(c3ncnc5cc(F)c(F)cc35)CC4)o2)c1.
What is the InChIKey of 2-[6-(6,7-difluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is PITSBVWURNCDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O/c24-14-3-1-2-13(8-14)21-29-30-22(32-21)16-11-23(16)4-6-31(7-5-23)20-15-9-17(25)18(26)10-19(15)27-12-28-20/h1-3,8-10,12,16H,4-7,11H2.
What are the key properties of 2-[6-(6,7-difluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
2-[6-(6,7-difluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 437.43 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(6,7-difluoroquinazolin-4-yl)-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 166215991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).