ethyl (5R)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate

C20H26N4O3 — CID 95220978

IUPACethyl (5R)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCCOC(=O)N1CCC[C@]2(CCN(Cc3nc(-c4ccccc4)no3)C2)C1
InChIInChI=1S/C20H26N4O3/c1-2-26-19(25)24-11-6-9-20(15-24)10-12-23(14-20)13-17-21-18(22-27-17)16-7-4-3-5-8-16/h3-5,7-8H,2,6,9-15H2,1H3/t20-/m1/s1
InChIKeyVRWYCIXNNVRSFO-HXUWFJFHSA-N
MW370.45 g/mol
LogP3.18
Rot. Bonds4

About ethyl (5R)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate

ethyl (5R)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 95220978) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is ethyl (5R)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Nameethyl (5R)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID95220978
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Nameethyl (5R)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCCOC(=O)N1CCC[C@]2(CCN(Cc3nc(-c4ccccc4)no3)C2)C1
InChIInChI=1S/C20H26N4O3/c1-2-26-19(25)24-11-6-9-20(15-24)10-12-23(14-20)13-17-21-18(22-27-17)16-7-4-3-5-8-16/h3-5,7-8H,2,6,9-15H2,1H3/t20-/m1/s1
InChIKeyVRWYCIXNNVRSFO-HXUWFJFHSA-N
XLogP3.18
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (5R)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate with MolForge

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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
3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole
CID 28739652
ethyl 4-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate
CID 38114906
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
1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 131943319
2-methoxy-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 86924494
tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 86326943
ethyl 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate
CID 26404168
phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3232751
ethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
CID 31369329
(3-methyl-1,2-oxazol-5-yl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 37250144

Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of ethyl (5R)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 95220978) is ethyl (5R)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for ethyl (5R)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for ethyl (5R)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate is CCOC(=O)N1CCC[C@]2(CCN(Cc3nc(-c4ccccc4)no3)C2)C1.
What is the InChIKey of ethyl (5R)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is VRWYCIXNNVRSFO-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-2-26-19(25)24-11-6-9-20(15-24)10-12-23(14-20)13-17-21-18(22-27-17)16-7-4-3-5-8-16/h3-5,7-8H,2,6,9-15H2,1H3/t20-/m1/s1.
What are the key properties of ethyl (5R)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate?
ethyl (5R)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 95220978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).