2-(3-fluorophenyl)-5-[(2S)-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole

C21H24FN5O2 — CID 95618262

IUPAC2-(3-fluorophenyl)-5-[(2S)-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole
SMILESCC(C)c1noc(CN2CCC3(CC2)C[C@@H]3c2nnc(-c3cccc(F)c3)o2)n1
InChIInChI=1S/C21H24FN5O2/c1-13(2)18-23-17(29-26-18)12-27-8-6-21(7-9-27)11-16(21)20-25-24-19(28-20)14-4-3-5-15(22)10-14/h3-5,10,13,16H,6-9,11-12H2,1-2H3/t16-/m1/s1
InChIKeyCDYFNTGZVOXLAP-MRXNPFEDSA-N
MW397.45 g/mol
LogP4.15
Rot. Bonds5

About 2-(3-fluorophenyl)-5-[(2S)-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole

2-(3-fluorophenyl)-5-[(2S)-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole (PubChem CID 95618262) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-[(2S)-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-[(2S)-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole
PubChem CID95618262
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC Name2-(3-fluorophenyl)-5-[(2S)-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole
SMILESCC(C)c1noc(CN2CCC3(CC2)C[C@@H]3c2nnc(-c3cccc(F)c3)o2)n1
InChIInChI=1S/C21H24FN5O2/c1-13(2)18-23-17(29-26-18)12-27-8-6-21(7-9-27)11-16(21)20-25-24-19(28-20)14-4-3-5-15(22)10-14/h3-5,10,13,16H,6-9,11-12H2,1-2H3/t16-/m1/s1
InChIKeyCDYFNTGZVOXLAP-MRXNPFEDSA-N
XLogP4.15
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(3-fluorophenyl)-5-[(2S)-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-[(2S)-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-fluorophenyl)-5-[(2S)-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole (CID 95618262) is 2-(3-fluorophenyl)-5-[(2S)-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-fluorophenyl)-5-[(2S)-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-fluorophenyl)-5-[(2S)-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole is CC(C)c1noc(CN2CCC3(CC2)C[C@@H]3c2nnc(-c3cccc(F)c3)o2)n1.
What is the InChIKey of 2-(3-fluorophenyl)-5-[(2S)-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole?
The InChIKey is CDYFNTGZVOXLAP-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-13(2)18-23-17(29-26-18)12-27-8-6-21(7-9-27)11-16(21)20-25-24-19(28-20)14-4-3-5-15(22)10-14/h3-5,10,13,16H,6-9,11-12H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-(3-fluorophenyl)-5-[(2S)-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole?
2-(3-fluorophenyl)-5-[(2S)-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole has a molecular weight of 397.45 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-[(2S)-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 95618262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).