2-[(2R)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole

C19H21N5O2 — CID 95617807

IUPAC2-[(2R)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1noc(CN2CCC3(CC2)C[C@H]3c2nnc(-c3ccccc3)o2)n1
InChIInChI=1S/C19H21N5O2/c1-13-20-16(26-23-13)12-24-9-7-19(8-10-24)11-15(19)18-22-21-17(25-18)14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3/t15-/m0/s1
InChIKeyIUMXORQRUZKFIV-HNNXBMFYSA-N
MW351.41 g/mol
LogP3.20
Rot. Bonds4

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

2-[(2R)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 95617807) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[(2R)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2R)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID95617807
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-[(2R)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1noc(CN2CCC3(CC2)C[C@H]3c2nnc(-c3ccccc3)o2)n1
InChIInChI=1S/C19H21N5O2/c1-13-20-16(26-23-13)12-24-9-7-19(8-10-24)11-15(19)18-22-21-17(25-18)14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3/t15-/m0/s1
InChIKeyIUMXORQRUZKFIV-HNNXBMFYSA-N
XLogP3.20
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2R)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole (CID 95617807) is 2-[(2R)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2R)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2R)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole is Cc1noc(CN2CCC3(CC2)C[C@H]3c2nnc(-c3ccccc3)o2)n1.
What is the InChIKey of 2-[(2R)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is IUMXORQRUZKFIV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-20-16(26-23-13)12-24-9-7-19(8-10-24)11-15(19)18-22-21-17(25-18)14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(2R)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole?
2-[(2R)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 351.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 95617807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).