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

C23H20FN5O — CID 56804504

IUPAC2-(3-fluorophenyl)-5-(6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(C3CC34CCN(c3ncnc5ccccc35)CC4)o2)c1
InChIInChI=1S/C23H20FN5O/c24-16-5-3-4-15(12-16)21-27-28-22(30-21)18-13-23(18)8-10-29(11-9-23)20-17-6-1-2-7-19(17)25-14-26-20/h1-7,12,14,18H,8-11,13H2
InChIKeyJBKGHCBCTSLRCO-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.59
Rot. Bonds3

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

2-(3-fluorophenyl)-5-(6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole (PubChem CID 56804504) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-(6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-(6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole
PubChem CID56804504
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC Name2-(3-fluorophenyl)-5-(6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(C3CC34CCN(c3ncnc5ccccc35)CC4)o2)c1
InChIInChI=1S/C23H20FN5O/c24-16-5-3-4-15(12-16)21-27-28-22(30-21)18-13-23(18)8-10-29(11-9-23)20-17-6-1-2-7-19(17)25-14-26-20/h1-7,12,14,18H,8-11,13H2
InChIKeyJBKGHCBCTSLRCO-UHFFFAOYSA-N
XLogP4.59
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.59
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-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-fluorophenyl)-5-(6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole (CID 56804504) is 2-(3-fluorophenyl)-5-(6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-fluorophenyl)-5-(6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-fluorophenyl)-5-(6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole is Fc1cccc(-c2nnc(C3CC34CCN(c3ncnc5ccccc35)CC4)o2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-(6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole?
The InChIKey is JBKGHCBCTSLRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c24-16-5-3-4-15(12-16)21-27-28-22(30-21)18-13-23(18)8-10-29(11-9-23)20-17-6-1-2-7-19(17)25-14-26-20/h1-7,12,14,18H,8-11,13H2.
What are the key properties of 2-(3-fluorophenyl)-5-(6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole?
2-(3-fluorophenyl)-5-(6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole has a molecular weight of 401.45 g/mol, XLogP of 4.59, 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-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 56804504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).