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

C23H20FN5O — CID 95618203

IUPAC2-(3-fluorophenyl)-5-[(2R)-6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc([C@@H]3CC34CCN(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/t18-/m0/s1
InChIKeyJBKGHCBCTSLRCO-SFHVURJKSA-N
MW401.45 g/mol
LogP4.59
Rot. Bonds3

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

2-(3-fluorophenyl)-5-[(2R)-6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole (PubChem CID 95618203) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-[(2R)-6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-[(2R)-6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole
PubChem CID95618203
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC Name2-(3-fluorophenyl)-5-[(2R)-6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc([C@@H]3CC34CCN(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/t18-/m0/s1
InChIKeyJBKGHCBCTSLRCO-SFHVURJKSA-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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Related Compounds

2-[3-(1,8-Naphthyridin-2-yl)propyl]-5-[4-[3-(trifluoromethyl)phenyl]phenyl]-1,3,4-oxadiazole
CID 71458497
2-{4-[5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-YL]piperidin-1-YL}-4-methylpyrimidine
CID 72855908
N-cyclohexyl-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
CID 46354948
N-[(2-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
CID 53008667
2-(4-Fluorophenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole
CID 53008653
N-[(4-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
CID 53008665
N-[(3-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
CID 53008669
2-Phenyl-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole
CID 10893238
4-N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]pyrimidine-4,5,6-triamine
CID 67599952
4-Amino-6-[2-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 123790216
4-fluoro-N-[7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-2-yl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 138590429
5-[2-Amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
CID 153626013

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-[(2R)-6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-fluorophenyl)-5-[(2R)-6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole (CID 95618203) is 2-(3-fluorophenyl)-5-[(2R)-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-[(2R)-6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-fluorophenyl)-5-[(2R)-6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole is Fc1cccc(-c2nnc([C@@H]3CC34CCN(c3ncnc5ccccc35)CC4)o2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-[(2R)-6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole?
The InChIKey is JBKGHCBCTSLRCO-SFHVURJKSA-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/t18-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-5-[(2R)-6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole?
2-(3-fluorophenyl)-5-[(2R)-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-[(2R)-6-quinazolin-4-yl-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 95618203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).