3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole

C25H30N4O — CID 28739652

IUPAC3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole
SMILESc1ccc(CCN2CCC[C@@]3(CCN(Cc4nc(-c5ccccc5)no4)C3)C2)cc1
InChIInChI=1S/C25H30N4O/c1-3-8-21(9-4-1)12-16-28-15-7-13-25(19-28)14-17-29(20-25)18-23-26-24(27-30-23)22-10-5-2-6-11-22/h1-6,8-11H,7,12-20H2/t25-/m1/s1
InChIKeyBHVJAZKNZTXMOM-RUZDIDTESA-N
MW402.54 g/mol
LogP4.27
Rot. Bonds6

About 3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole

3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole (PubChem CID 28739652) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole
PubChem CID28739652
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole
SMILESc1ccc(CCN2CCC[C@@]3(CCN(Cc4nc(-c5ccccc5)no4)C3)C2)cc1
InChIInChI=1S/C25H30N4O/c1-3-8-21(9-4-1)12-16-28-15-7-13-25(19-28)14-17-29(20-25)18-23-26-24(27-30-23)22-10-5-2-6-11-22/h1-6,8-11H,7,12-20H2/t25-/m1/s1
InChIKeyBHVJAZKNZTXMOM-RUZDIDTESA-N
XLogP4.27
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 56715166
ethyl (5R)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 95220978
3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole
CID 154128947
4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 80702356
[3-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120771610
5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171
9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 45227788
2-[(2,3-dimethylimidazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane
CID 45208898
4-[[(5R)-2-benzyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97483058
3-(4-phenylmethoxyphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 46923435
1-[4-[[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]thiophen-2-yl]ethanone
CID 45248581
(5S)-2-[(E)-3-(furan-2-yl)prop-2-enyl]-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane
CID 42404410

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole (CID 28739652) is 3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole is c1ccc(CCN2CCC[C@@]3(CCN(Cc4nc(-c5ccccc5)no4)C3)C2)cc1.
What is the InChIKey of 3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is BHVJAZKNZTXMOM-RUZDIDTESA-N. The full InChI is InChI=1S/C25H30N4O/c1-3-8-21(9-4-1)12-16-28-15-7-13-25(19-28)14-17-29(20-25)18-23-26-24(27-30-23)22-10-5-2-6-11-22/h1-6,8-11H,7,12-20H2/t25-/m1/s1.
What are the key properties of 3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole?
3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 402.54 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 28739652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).